(3-chloro-4-pentan-2-yloxyphenyl)methanol

C12H17ClO2 — CID 107892219

IUPAC(3-chloro-4-pentan-2-yloxyphenyl)methanol
SMILESCCCC(C)Oc1ccc(CO)cc1Cl
InChIInChI=1S/C12H17ClO2/c1-3-4-9(2)15-12-6-5-10(8-14)7-11(12)13/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeyCAYOJODOTBHRAH-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.40
Rot. Bonds5

About (3-chloro-4-pentan-2-yloxyphenyl)methanol

(3-chloro-4-pentan-2-yloxyphenyl)methanol (PubChem CID 107892219) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is (3-chloro-4-pentan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-pentan-2-yloxyphenyl)methanol
PubChem CID107892219
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name(3-chloro-4-pentan-2-yloxyphenyl)methanol
SMILESCCCC(C)Oc1ccc(CO)cc1Cl
InChIInChI=1S/C12H17ClO2/c1-3-4-9(2)15-12-6-5-10(8-14)7-11(12)13/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeyCAYOJODOTBHRAH-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-pentan-2-yloxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
CID 114013408
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
4-[2-chloro-4-[[3-chloro-4-[5-(diethylamino)pentan-2-yloxy]phenyl]methyl]phenoxy]-N,N-diethylpentan-1-amine
CID 58806963
(1S)-1-(5-chloro-2-pentan-2-yloxyphenyl)ethanol
CID 107892259
2-(2-chloro-4-ethylphenoxy)pentanoic acid
CID 54793091
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
CID 55031367
4-chloro-2-(chloromethyl)-1-pentan-2-yloxybenzene
CID 107896133
(3,5-difluoro-4-pentan-2-yloxyphenyl)methanol
CID 107892314
[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
CID 81151158
4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene
CID 107896132

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pentan-2-yloxyphenyl)methanol?
The IUPAC name of (3-chloro-4-pentan-2-yloxyphenyl)methanol (CID 107892219) is (3-chloro-4-pentan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-pentan-2-yloxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-pentan-2-yloxyphenyl)methanol is CCCC(C)Oc1ccc(CO)cc1Cl.
What is the InChIKey of (3-chloro-4-pentan-2-yloxyphenyl)methanol?
The InChIKey is CAYOJODOTBHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-3-4-9(2)15-12-6-5-10(8-14)7-11(12)13/h5-7,9,14H,3-4,8H2,1-2H3.
What are the key properties of (3-chloro-4-pentan-2-yloxyphenyl)methanol?
(3-chloro-4-pentan-2-yloxyphenyl)methanol has a molecular weight of 228.72 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pentan-2-yloxyphenyl)methanol is sourced from PubChem (CID 107892219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).