[2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol

C12H15ClO3 — CID 16635

IUPAC[2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol
SMILESCCC1(c2ccc(Cl)cc2)OCC(CO)O1
InChIInChI=1S/C12H15ClO3/c1-2-12(15-8-11(7-14)16-12)9-3-5-10(13)6-4-9/h3-6,11,14H,2,7-8H2,1H3
InChIKeyLYCOEWNNZGGXRP-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.31
Rot. Bonds3

About [2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol

[2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 16635) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol
PubChem CID16635
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name[2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol
SMILESCCC1(c2ccc(Cl)cc2)OCC(CO)O1
InChIInChI=1S/C12H15ClO3/c1-2-12(15-8-11(7-14)16-12)9-3-5-10(13)6-4-9/h3-6,11,14H,2,7-8H2,1H3
InChIKeyLYCOEWNNZGGXRP-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol (CID 16635) is [2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol is CCC1(c2ccc(Cl)cc2)OCC(CO)O1.
What is the InChIKey of [2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is LYCOEWNNZGGXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-2-12(15-8-11(7-14)16-12)9-3-5-10(13)6-4-9/h3-6,11,14H,2,7-8H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol?
[2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 242.70 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 16635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).