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

C14H11BrClFO2 — CID 91686030

IUPAC[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C14H11BrClFO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-2-1-3-11(17)4-9/h1-6,18H,7-8H2
InChIKeyVFQWIOZCIYNTFQ-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.31
Rot. Bonds4

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

[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol (PubChem CID 91686030) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is [3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
PubChem CID91686030
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C14H11BrClFO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-2-1-3-11(17)4-9/h1-6,18H,7-8H2
InChIKeyVFQWIOZCIYNTFQ-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
CID 91686226
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
CID 112613744
[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 103038353
1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
(NE)-N-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91682760
[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 28898339
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682725
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 28533453

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol (CID 91686030) is [3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol is OCc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1.
What is the InChIKey of [3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol?
The InChIKey is VFQWIOZCIYNTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-2-1-3-11(17)4-9/h1-6,18H,7-8H2.
What are the key properties of [3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol?
[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol has a molecular weight of 345.60 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 91686030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).