1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol

C26H20Br2Cl2O — CID 70069376

IUPAC1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol
SMILESClc1cccc(Cc2ccccc2Br)c1.OC(c1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C13H10BrClO.C13H10BrCl/c14-12-7-2-1-6-11(12)13(16)9-4-3-5-10(15)8-9;14-13-7-2-1-5-11(13)8-10-4-3-6-12(15)9-10/h1-8,13,16H;1-7,9H,8H2
InChIKeyWEGOOYJHIWKDIT-UHFFFAOYSA-N
MW579.16 g/mol
LogP8.88
Rot. Bonds4

About 1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol

1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol (PubChem CID 70069376) has the molecular formula C26H20Br2Cl2O and a molecular weight of 579.16 g/mol. Its IUPAC name is 1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol.

Molecular Properties

Compound Name1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol
PubChem CID70069376
Molecular FormulaC26H20Br2Cl2O
Molecular Weight579.16 g/mol
Exact Mass575.93
IUPAC Name1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol
SMILESClc1cccc(Cc2ccccc2Br)c1.OC(c1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C13H10BrClO.C13H10BrCl/c14-12-7-2-1-6-11(12)13(16)9-4-3-5-10(15)8-9;14-13-7-2-1-5-11(13)8-10-4-3-6-12(15)9-10/h1-8,13,16H;1-7,9H,8H2
InChIKeyWEGOOYJHIWKDIT-UHFFFAOYSA-N
XLogP8.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.16
LogP ≤ 58.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2-bromophenyl)-(3,5-dichlorophenyl)methanol
CID 97293471
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
[(2-bromophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105208765
(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol
CID 97293464
1-bromo-2-[1-chloro-3-(3-chlorophenyl)propan-2-yl]benzene
CID 79454332
[2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 114982412
[4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol
CID 82026496
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(2-bromophenyl)-(3,4-diethylphenyl)methanol
CID 115482670
3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol
CID 62624570
(2-bromophenyl)-(2-ethylphenyl)methanol
CID 91657587
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol?
The IUPAC name of 1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol (CID 70069376) is 1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol.
What is the SMILES notation for 1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol?
The canonical SMILES for 1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol is Clc1cccc(Cc2ccccc2Br)c1.OC(c1cccc(Cl)c1)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol?
The InChIKey is WEGOOYJHIWKDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO.C13H10BrCl/c14-12-7-2-1-6-11(12)13(16)9-4-3-5-10(15)8-9;14-13-7-2-1-5-11(13)8-10-4-3-6-12(15)9-10/h1-8,13,16H;1-7,9H,8H2.
What are the key properties of 1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol?
1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol has a molecular weight of 579.16 g/mol, XLogP of 8.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(3-chlorophenyl)methyl]benzene;(2-bromophenyl)-(3-chlorophenyl)methanol is sourced from PubChem (CID 70069376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).