1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol

C12H14ClFO3 — CID 103547608

IUPAC1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
SMILESOC(Cc1cccc(F)c1Cl)CC1OCCO1
InChIInChI=1S/C12H14ClFO3/c13-12-8(2-1-3-10(12)14)6-9(15)7-11-16-4-5-17-11/h1-3,9,11,15H,4-7H2
InChIKeyVZGUCVLPYOMGQR-UHFFFAOYSA-N
MW260.69 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol

1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol (PubChem CID 103547608) has the molecular formula C12H14ClFO3 and a molecular weight of 260.69 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
PubChem CID103547608
Molecular FormulaC12H14ClFO3
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
SMILESOC(Cc1cccc(F)c1Cl)CC1OCCO1
InChIInChI=1S/C12H14ClFO3/c13-12-8(2-1-3-10(12)14)6-9(15)7-11-16-4-5-17-11/h1-3,9,11,15H,4-7H2
InChIKeyVZGUCVLPYOMGQR-UHFFFAOYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-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

1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
1-(2-chloro-3-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 115831221
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol
CID 103547351
1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 103543902

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol (CID 103547608) is 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol is OC(Cc1cccc(F)c1Cl)CC1OCCO1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The InChIKey is VZGUCVLPYOMGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO3/c13-12-8(2-1-3-10(12)14)6-9(15)7-11-16-4-5-17-11/h1-3,9,11,15H,4-7H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol has a molecular weight of 260.69 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol is sourced from PubChem (CID 103547608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).