6-bromo-2-chloro-3-phenylmethoxybenzoic acid

C14H10BrClO3 — CID 146035320

IUPAC6-bromo-2-chloro-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1c(Br)ccc(OCc2ccccc2)c1Cl
InChIInChI=1S/C14H10BrClO3/c15-10-6-7-11(13(16)12(10)14(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyMSEUSLNRGZLPDC-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.38
Rot. Bonds4

About 6-bromo-2-chloro-3-phenylmethoxybenzoic acid

6-bromo-2-chloro-3-phenylmethoxybenzoic acid (PubChem CID 146035320) has the molecular formula C14H10BrClO3 and a molecular weight of 341.59 g/mol. Its IUPAC name is 6-bromo-2-chloro-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name6-bromo-2-chloro-3-phenylmethoxybenzoic acid
PubChem CID146035320
Molecular FormulaC14H10BrClO3
Molecular Weight341.59 g/mol
Exact Mass339.95
IUPAC Name6-bromo-2-chloro-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1c(Br)ccc(OCc2ccccc2)c1Cl
InChIInChI=1S/C14H10BrClO3/c15-10-6-7-11(13(16)12(10)14(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyMSEUSLNRGZLPDC-UHFFFAOYSA-N
XLogP4.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol
CID 146035386
1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
2-bromo-6-fluoro-3-phenylmethoxybenzoic acid
CID 155293763
3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
CID 67182822
(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 171369301
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
3-bromo-2-[1-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 67658768
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
4-(2,6-dichlorobenzoyl)-3,5-bis(phenylmethoxy)benzoic acid
CID 54042126
(6-bromo-2-methyl-3-phenylmethoxyphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 171369307
phenyl 4-bromo-3-chloro-2-methyl-6-phenylmethoxybenzoate
CID 58493337

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-3-phenylmethoxybenzoic acid?
The IUPAC name of 6-bromo-2-chloro-3-phenylmethoxybenzoic acid (CID 146035320) is 6-bromo-2-chloro-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 6-bromo-2-chloro-3-phenylmethoxybenzoic acid?
The canonical SMILES for 6-bromo-2-chloro-3-phenylmethoxybenzoic acid is O=C(O)c1c(Br)ccc(OCc2ccccc2)c1Cl.
What is the InChIKey of 6-bromo-2-chloro-3-phenylmethoxybenzoic acid?
The InChIKey is MSEUSLNRGZLPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO3/c15-10-6-7-11(13(16)12(10)14(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 6-bromo-2-chloro-3-phenylmethoxybenzoic acid?
6-bromo-2-chloro-3-phenylmethoxybenzoic acid has a molecular weight of 341.59 g/mol, XLogP of 4.38, 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-phenylmethoxybenzoic acid is sourced from PubChem (CID 146035320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).