(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol

C12H14ClFO2 — CID 64713264

IUPAC(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
SMILESOC(c1cccc(Cl)c1F)C1CCOCC1
InChIInChI=1S/C12H14ClFO2/c13-10-3-1-2-9(11(10)14)12(15)8-4-6-16-7-5-8/h1-3,8,12,15H,4-7H2
InChIKeyIBSLJKHQHWTFRI-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.94
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol

(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol (PubChem CID 64713264) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
PubChem CID64713264
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
SMILESOC(c1cccc(Cl)c1F)C1CCOCC1
InChIInChI=1S/C12H14ClFO2/c13-10-3-1-2-9(11(10)14)12(15)8-4-6-16-7-5-8/h1-3,8,12,15H,4-7H2
InChIKeyIBSLJKHQHWTFRI-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-2-fluorophenyl)-(oxan-4-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

(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171249497
oxan-4-yl-(2,3,4-trifluorophenyl)methanol
CID 63902199
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol
CID 65459936
(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
CID 64713267
(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171161264
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol
CID 62906919
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol (CID 64713264) is (3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol is OC(c1cccc(Cl)c1F)C1CCOCC1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol?
The InChIKey is IBSLJKHQHWTFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c13-10-3-1-2-9(11(10)14)12(15)8-4-6-16-7-5-8/h1-3,8,12,15H,4-7H2.
What are the key properties of (3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol?
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol has a molecular weight of 244.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol is sourced from PubChem (CID 64713264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).