3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol

C12H14ClFO2 — CID 106471356

IUPAC3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol
SMILESOC1CCOCC1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFO2/c13-10-6-8(1-2-11(10)14)5-9-7-16-4-3-12(9)15/h1-2,6,9,12,15H,3-5,7H2
InChIKeyMGRWZGPDVLAVJG-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.42
Rot. Bonds2

About 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol

3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol (PubChem CID 106471356) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol
PubChem CID106471356
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol
SMILESOC1CCOCC1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFO2/c13-10-6-8(1-2-11(10)14)5-9-7-16-4-3-12(9)15/h1-2,6,9,12,15H,3-5,7H2
InChIKeyMGRWZGPDVLAVJG-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol 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-[(4-chlorophenyl)methyl]oxan-4-ol
CID 71649863
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867
3-[(4-hydroxyphenyl)methyl]oxan-4-ol
CID 106471081
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
3-[(4-tert-butylphenyl)methyl]oxan-4-ol
CID 106471360
2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol
CID 103038984
3-[(4-bromo-2-chlorophenyl)methyl]oxan-4-ol
CID 106471285
(3R,4S)-3-[(4-chlorophenyl)methyl]oxane-4-thiol
CID 97169900
3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride
CID 118991797
3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 103041667
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol (CID 106471356) is 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol is OC1CCOCC1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol?
The InChIKey is MGRWZGPDVLAVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c13-10-6-8(1-2-11(10)14)5-9-7-16-4-3-12(9)15/h1-2,6,9,12,15H,3-5,7H2.
What are the key properties of 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol?
3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol has a molecular weight of 244.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol is sourced from PubChem (CID 106471356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).