[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol

C15H14BrClO3 — CID 28898339

IUPAC[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1cccc(Br)c1
InChIInChI=1S/C15H14BrClO3/c1-19-14-7-11(8-18)6-13(17)15(14)20-9-10-3-2-4-12(16)5-10/h2-7,18H,8-9H2,1H3
InChIKeyKYMBKMWBAXQPQE-UHFFFAOYSA-N
MW357.63 g/mol
LogP4.18
Rot. Bonds5

About [4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol

[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol (PubChem CID 28898339) has the molecular formula C15H14BrClO3 and a molecular weight of 357.63 g/mol. Its IUPAC name is [4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
PubChem CID28898339
Molecular FormulaC15H14BrClO3
Molecular Weight357.63 g/mol
Exact Mass355.98
IUPAC Name[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1cccc(Br)c1
InChIInChI=1S/C15H14BrClO3/c1-19-14-7-11(8-18)6-13(17)15(14)20-9-10-3-2-4-12(16)5-10/h2-7,18H,8-9H2,1H3
InChIKeyKYMBKMWBAXQPQE-UHFFFAOYSA-N
XLogP4.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 79698183
[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol
CID 5245459
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 103038353
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
CID 1319055
(E)-2-acetamido-3-[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]prop-2-enoic acid
CID 6209696
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
4-[(3-bromophenyl)methoxy]-3-chloro-5-ethoxybenzoic acid
CID 91683362
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 91686030
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol
CID 105372054

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol (CID 28898339) is [4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol is COc1cc(CO)cc(Cl)c1OCc1cccc(Br)c1.
What is the InChIKey of [4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol?
The InChIKey is KYMBKMWBAXQPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO3/c1-19-14-7-11(8-18)6-13(17)15(14)20-9-10-3-2-4-12(16)5-10/h2-7,18H,8-9H2,1H3.
What are the key properties of [4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol?
[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol has a molecular weight of 357.63 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 28898339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).