(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol

C16H14BrFO2 — CID 115838473

IUPAC(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
SMILESOC(c1cccc(OC2CC2)c1)c1ccc(F)cc1Br
InChIInChI=1S/C16H14BrFO2/c17-15-9-11(18)4-7-14(15)16(19)10-2-1-3-13(8-10)20-12-5-6-12/h1-4,7-9,12,16,19H,5-6H2
InChIKeyVVZPIIRYDKQPEU-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.21
Rot. Bonds4

About (2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol

(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol (PubChem CID 115838473) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
PubChem CID115838473
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
SMILESOC(c1cccc(OC2CC2)c1)c1ccc(F)cc1Br
InChIInChI=1S/C16H14BrFO2/c17-15-9-11(18)4-7-14(15)16(19)10-2-1-3-13(8-10)20-12-5-6-12/h1-4,7-9,12,16,19H,5-6H2
InChIKeyVVZPIIRYDKQPEU-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838478
(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 105131480
(3-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 114521398
1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 105051704
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 115838494
(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 114521051
(3-cyclopropyloxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 114521405
(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 107469550
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol (CID 115838473) is (2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol is OC(c1cccc(OC2CC2)c1)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol?
The InChIKey is VVZPIIRYDKQPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c17-15-9-11(18)4-7-14(15)16(19)10-2-1-3-13(8-10)20-12-5-6-12/h1-4,7-9,12,16,19H,5-6H2.
What are the key properties of (2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol?
(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol has a molecular weight of 337.19 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 115838473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).