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

C15H13BrClFO3 — CID 79698183

IUPAC[4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrClFO3/c1-20-14-5-9(7-19)4-13(17)15(14)21-8-10-2-11(16)6-12(18)3-10/h2-6,19H,7-8H2,1H3
InChIKeySYKMVJLYQGWCON-UHFFFAOYSA-N
MW375.62 g/mol
LogP4.32
Rot. Bonds5

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

[4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol (PubChem CID 79698183) has the molecular formula C15H13BrClFO3 and a molecular weight of 375.62 g/mol. Its IUPAC name is [4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
PubChem CID79698183
Molecular FormulaC15H13BrClFO3
Molecular Weight375.62 g/mol
Exact Mass373.97
IUPAC Name[4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrClFO3/c1-20-14-5-9(7-19)4-13(17)15(14)21-8-10-2-11(16)6-12(18)3-10/h2-6,19H,7-8H2,1H3
InChIKeySYKMVJLYQGWCON-UHFFFAOYSA-N
XLogP4.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.62
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 28898339
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol
CID 105372054
[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 103038353
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 79698175
1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene
CID 63536847
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79706812
2-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
CID 79700925

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol (CID 79698183) is [4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol is COc1cc(CO)cc(Cl)c1OCc1cc(F)cc(Br)c1.
What is the InChIKey of [4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol?
The InChIKey is SYKMVJLYQGWCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO3/c1-20-14-5-9(7-19)4-13(17)15(14)21-8-10-2-11(16)6-12(18)3-10/h2-6,19H,7-8H2,1H3.
What are the key properties of [4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol?
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol has a molecular weight of 375.62 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 79698183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).