(3-bromo-4-cyclopentyloxyphenyl)methanol

C12H15BrO2 — CID 63051302

IUPAC(3-bromo-4-cyclopentyloxyphenyl)methanol
SMILESOCc1ccc(OC2CCCC2)c(Br)c1
InChIInChI=1S/C12H15BrO2/c13-11-7-9(8-14)5-6-12(11)15-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2
InChIKeyJKTGSYDRYFQHKP-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.26
Rot. Bonds3

About (3-bromo-4-cyclopentyloxyphenyl)methanol

(3-bromo-4-cyclopentyloxyphenyl)methanol (PubChem CID 63051302) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is (3-bromo-4-cyclopentyloxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-cyclopentyloxyphenyl)methanol
PubChem CID63051302
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(3-bromo-4-cyclopentyloxyphenyl)methanol
SMILESOCc1ccc(OC2CCCC2)c(Br)c1
InChIInChI=1S/C12H15BrO2/c13-11-7-9(8-14)5-6-12(11)15-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2
InChIKeyJKTGSYDRYFQHKP-UHFFFAOYSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530
[3-bromo-4-(oxan-3-yloxy)phenyl]methanol
CID 107135061
2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 63050614
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
(4-cycloheptyloxy-3-fluorophenyl)methanol
CID 107690655
3-bromo-4-cyclopentyloxyphenol
CID 68761541
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
CID 63045521
N-[(3-bromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63501039
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
CID 11573663

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-cyclopentyloxyphenyl)methanol?
The IUPAC name of (3-bromo-4-cyclopentyloxyphenyl)methanol (CID 63051302) is (3-bromo-4-cyclopentyloxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-cyclopentyloxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-cyclopentyloxyphenyl)methanol is OCc1ccc(OC2CCCC2)c(Br)c1.
What is the InChIKey of (3-bromo-4-cyclopentyloxyphenyl)methanol?
The InChIKey is JKTGSYDRYFQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-11-7-9(8-14)5-6-12(11)15-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2.
What are the key properties of (3-bromo-4-cyclopentyloxyphenyl)methanol?
(3-bromo-4-cyclopentyloxyphenyl)methanol has a molecular weight of 271.15 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-cyclopentyloxyphenyl)methanol is sourced from PubChem (CID 63051302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).