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

C15H13BrClFO3 — CID 103038353

IUPAC[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13BrClFO3/c1-20-14-6-10(7-19)4-11(16)15(14)21-8-9-2-3-13(18)12(17)5-9/h2-6,19H,7-8H2,1H3
InChIKeyIUJLWKLPLUGURF-UHFFFAOYSA-N
MW375.62 g/mol
LogP4.32
Rot. Bonds5

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

[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol (PubChem CID 103038353) has the molecular formula C15H13BrClFO3 and a molecular weight of 375.62 g/mol. Its IUPAC name is [3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
PubChem CID103038353
Molecular FormulaC15H13BrClFO3
Molecular Weight375.62 g/mol
Exact Mass373.97
IUPAC Name[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13BrClFO3/c1-20-14-6-10(7-19)4-11(16)15(14)21-8-9-2-3-13(18)12(17)5-9/h2-6,19H,7-8H2,1H3
InChIKeyIUJLWKLPLUGURF-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

1-bromo-5-(bromomethyl)-2-[(3,4-difluorophenyl)methoxy]-3-methoxybenzene
CID 82916368
1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
CID 43622800
[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
CID 103038387
3-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]propan-1-ol
CID 170887606
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(3-chloro-4-fluorophenyl)methanamine
CID 60615929
[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 28898339
1-bromo-5-(bromomethyl)-2-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 103047056
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 79698183
2-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 17056835
[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
CID 1319055
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292613
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 17056821

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
The IUPAC name of [3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol (CID 103038353) is [3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol is COc1cc(CO)cc(Br)c1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of [3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
The InChIKey is IUJLWKLPLUGURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO3/c1-20-14-6-10(7-19)4-11(16)15(14)21-8-9-2-3-13(18)12(17)5-9/h2-6,19H,7-8H2,1H3.
What are the key properties of [3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-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 [3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol is sourced from PubChem (CID 103038353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).