(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol

C16H14BrClO2 — CID 115838478

IUPAC(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
SMILESOC(c1cccc(OC2CC2)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C16H14BrClO2/c17-14-6-2-5-13(15(14)18)16(19)10-3-1-4-12(9-10)20-11-7-8-11/h1-6,9,11,16,19H,7-8H2
InChIKeyMZHSIWFOFNVOIZ-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.73
Rot. Bonds4

About (3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol

(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol (PubChem CID 115838478) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
PubChem CID115838478
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
SMILESOC(c1cccc(OC2CC2)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C16H14BrClO2/c17-14-6-2-5-13(15(14)18)16(19)10-3-1-4-12(9-10)20-11-7-8-11/h1-6,9,11,16,19H,7-8H2
InChIKeyMZHSIWFOFNVOIZ-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
CID 114976791
(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838473
(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 105131480
(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 115838494
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 107469550
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 114521051
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol
CID 107124992
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol (CID 115838478) is (3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol is OC(c1cccc(OC2CC2)c1)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol?
The InChIKey is MZHSIWFOFNVOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c17-14-6-2-5-13(15(14)18)16(19)10-3-1-4-12(9-10)20-11-7-8-11/h1-6,9,11,16,19H,7-8H2.
What are the key properties of (3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol?
(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol has a molecular weight of 353.64 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 115838478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).