28369536
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4.5981
4.5981
2
3.732
3.732
2.866
4.5981
2.866
4.5981
4.5981
3.732
5.4641
3.732
5.4641
3.732
4.5981
2
3.52
3.1215
2.3291
5.135
5.135
3.732
6.001
3.1951
6.001
3.1951
1.38
2
2.62
4.25
0.25
-3.25
-1.25
-0.25
-1.75
-1.75
-2.75
1.25
-2.75
-3.25
1.75
1.75
2.75
2.75
3.25
-4.25
0.3326
-0.3577
-1.44
-1.44
-3.06
-3.87
1.44
1.44
3.06
3.06
-4.25
-4.87
-4.25
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
214
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0703000001000000000000000000000000000000000306000000000000000014000001A0040000001AC04A098023206800004008002204200000208002020040888000608A80C262284311A823820A4C01108AA17C0C0300E00100100000000000020020000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-bromo-4-[(3-methoxyphenyl)methoxy]benzene
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-bromo-4-[(3-methoxyphenyl)methoxy]benzene
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-bromo-4-[(3-methoxyphenyl)methoxy]benzene
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-bromanyl-4-[(3-methoxyphenyl)methoxy]benzene
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-bromo-4-m-anisyloxy-benzene
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H13BrO2/c1-16-14-4-2-3-11(9-14)10-17-13-7-5-12(15)6-8-13/h2-9H,10H2,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
WMPLHYFMDVIJLL-UHFFFAOYSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
292.009892
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H13BrO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
293.15582
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC(=C1)COC2=CC=C(C=C2)Br
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC(=C1)COC2=CC=C(C=C2)Br
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
18.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
292.009892
17
0
0
0
0
0
0
0
1
1