(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol

C14H12BrClO2 — CID 146035386

IUPAC(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol
SMILESOCc1c(Br)ccc(OCc2ccccc2)c1Cl
InChIInChI=1S/C14H12BrClO2/c15-12-6-7-13(14(16)11(12)8-17)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2
InChIKeyFZFVVDFLXMLEPN-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.17
Rot. Bonds4

About (6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol

(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol (PubChem CID 146035386) has the molecular formula C14H12BrClO2 and a molecular weight of 327.60 g/mol. Its IUPAC name is (6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol
PubChem CID146035386
Molecular FormulaC14H12BrClO2
Molecular Weight327.60 g/mol
Exact Mass325.97
IUPAC Name(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol
SMILESOCc1c(Br)ccc(OCc2ccccc2)c1Cl
InChIInChI=1S/C14H12BrClO2/c15-12-6-7-13(14(16)11(12)8-17)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2
InChIKeyFZFVVDFLXMLEPN-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
6-bromo-2-chloro-3-phenylmethoxybenzoic acid
CID 146035320
3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
CID 67182822
2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene
CID 141333067
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
2-bromo-6-phenylmethoxyphenol
CID 67346586
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
2-(2-bromophenyl)-4-chloro-1-phenylmethoxybenzene
CID 69309413
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356
(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol?
The IUPAC name of (6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol (CID 146035386) is (6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol?
The canonical SMILES for (6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol is OCc1c(Br)ccc(OCc2ccccc2)c1Cl.
What is the InChIKey of (6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol?
The InChIKey is FZFVVDFLXMLEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c15-12-6-7-13(14(16)11(12)8-17)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2.
What are the key properties of (6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol?
(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol has a molecular weight of 327.60 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 146035386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).