1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol

C12H15ClO3 — CID 131075373

IUPAC1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol
SMILESCc1ccc(Cl)c(C(O)CC2OCCO2)c1
InChIInChI=1S/C12H15ClO3/c1-8-2-3-10(13)9(6-8)11(14)7-12-15-4-5-16-12/h2-3,6,11-12,14H,4-5,7H2,1H3
InChIKeyDVWDYZTTXXHQDY-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.44
Rot. Bonds3

About 1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol

1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol (PubChem CID 131075373) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol
PubChem CID131075373
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol
SMILESCc1ccc(Cl)c(C(O)CC2OCCO2)c1
InChIInChI=1S/C12H15ClO3/c1-8-2-3-10(13)9(6-8)11(14)7-12-15-4-5-16-12/h2-3,6,11-12,14H,4-5,7H2,1H3
InChIKeyDVWDYZTTXXHQDY-UHFFFAOYSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-methylphenyl)propan-1-ol
CID 83988244
1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547438
1-(2,5-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546664
1-(2-chloro-5-methylphenyl)ethanol;ethane
CID 143592290
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
CID 113391319
2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 103547609
1-(2-chloro-5-methylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819408
1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789568
1-chloro-2-heptan-4-yl-4-methylbenzene
CID 134594279
(2-chloro-4-methylphenyl)-cyclopropylmethanol
CID 58392529
2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol
CID 59574538
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 103543989

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol (CID 131075373) is 1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol is Cc1ccc(Cl)c(C(O)CC2OCCO2)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol?
The InChIKey is DVWDYZTTXXHQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-8-2-3-10(13)9(6-8)11(14)7-12-15-4-5-16-12/h2-3,6,11-12,14H,4-5,7H2,1H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol?
1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol has a molecular weight of 242.70 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol is sourced from PubChem (CID 131075373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).