(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol

C17H17BrO3 — CID 105131480

IUPAC(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
SMILESCOc1ccc(Br)c(C(O)c2cccc(OC3CC3)c2)c1
InChIInChI=1S/C17H17BrO3/c1-20-13-7-8-16(18)15(10-13)17(19)11-3-2-4-14(9-11)21-12-5-6-12/h2-4,7-10,12,17,19H,5-6H2,1H3
InChIKeyFUQPEJCSGJAZJZ-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.08
Rot. Bonds5

About (2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol

(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol (PubChem CID 105131480) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
PubChem CID105131480
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
SMILESCOc1ccc(Br)c(C(O)c2cccc(OC3CC3)c2)c1
InChIInChI=1S/C17H17BrO3/c1-20-13-7-8-16(18)15(10-13)17(19)11-3-2-4-14(9-11)21-12-5-6-12/h2-4,7-10,12,17,19H,5-6H2,1H3
InChIKeyFUQPEJCSGJAZJZ-UHFFFAOYSA-N
XLogP4.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838478
(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838473
(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 107469550
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 115838494
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
CID 114976791

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol (CID 105131480) is (2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol is COc1ccc(Br)c(C(O)c2cccc(OC3CC3)c2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol?
The InChIKey is FUQPEJCSGJAZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-20-13-7-8-16(18)15(10-13)17(19)11-3-2-4-14(9-11)21-12-5-6-12/h2-4,7-10,12,17,19H,5-6H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol?
(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol has a molecular weight of 349.22 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 105131480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).