(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol

C13H17ClO3 — CID 82838251

IUPAC(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
SMILESCOc1cc(C(O)C2CCC(C)O2)ccc1Cl
InChIInChI=1S/C13H17ClO3/c1-8-3-6-11(17-8)13(15)9-4-5-10(14)12(7-9)16-2/h4-5,7-8,11,13,15H,3,6H2,1-2H3
InChIKeyWRQIVIYSMHXWQK-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.95
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol

(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol (PubChem CID 82838251) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
PubChem CID82838251
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
SMILESCOc1cc(C(O)C2CCC(C)O2)ccc1Cl
InChIInChI=1S/C13H17ClO3/c1-8-3-6-11(17-8)13(15)9-4-5-10(14)12(7-9)16-2/h4-5,7-8,11,13,15H,3,6H2,1-2H3
InChIKeyWRQIVIYSMHXWQK-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)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

(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
(3-bromo-4-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 81330381
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
(4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 79701055
(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 113438363
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123
2-[bromo-(3,4-dimethoxyphenyl)methyl]-5-methyloxolane
CID 81326671
(5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol
CID 145143506
(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105111122
(5-methyloxolan-2-yl)-phenylmethanol
CID 13239151
(4-chloro-3-methoxyphenyl)-(thian-3-yl)methanol
CID 114283113
[(3,4-dimethoxyphenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105301173

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol (CID 82838251) is (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol is COc1cc(C(O)C2CCC(C)O2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol?
The InChIKey is WRQIVIYSMHXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c1-8-3-6-11(17-8)13(15)9-4-5-10(14)12(7-9)16-2/h4-5,7-8,11,13,15H,3,6H2,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol?
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol has a molecular weight of 256.73 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol is sourced from PubChem (CID 82838251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).