[5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C12H14Cl2O3 — CID 123972056

IUPAC[5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC(CO)C(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C12H14Cl2O3/c1-12(2)16-10(6-15)11(17-12)8-4-3-7(13)5-9(8)14/h3-5,10-11,15H,6H2,1-2H3
InChIKeyAZEZVVSDQVPSEZ-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.18
Rot. Bonds2

About [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 123972056) has the molecular formula C12H14Cl2O3 and a molecular weight of 277.15 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID123972056
Molecular FormulaC12H14Cl2O3
Molecular Weight277.15 g/mol
Exact Mass276.03
IUPAC Name[5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC(CO)C(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C12H14Cl2O3/c1-12(2)16-10(6-15)11(17-12)8-4-3-7(13)5-9(8)14/h3-5,10-11,15H,6H2,1-2H3
InChIKeyAZEZVVSDQVPSEZ-UHFFFAOYSA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-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

[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 90027428
3-(2,4-dichlorophenyl)-2,2-dimethyloxirane
CID 116864111
methyl N-[(4R,5R)-5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]sulfamate
CID 175002760
[5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118141643
[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872520
(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 123528686
2-(2,4-dichlorophenyl)-3-phenyloxirane
CID 86087520
6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione
CID 11703279
(4R,5S)-5-(2-chlorophenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 122638275
(4S,5S)-4-(2-chlorophenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 118141605
2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol
CID 118151829
(4S,5S)-4-(2-chlorophenyl)-2,2-dimethyl-5-(sulfinamoyloxymethyl)-1,3-dioxolane
CID 129085548

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 123972056) is [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)OC(CO)C(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is AZEZVVSDQVPSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O3/c1-12(2)16-10(6-15)11(17-12)8-4-3-7(13)5-9(8)14/h3-5,10-11,15H,6H2,1-2H3.
What are the key properties of [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 277.15 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 123972056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).