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

C16H16O3 — CID 90425557

IUPAC[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol
SMILESOCc1ccc(C2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C16H16O3/c17-12-13-6-8-15(9-7-13)16(18-10-11-19-16)14-4-2-1-3-5-14/h1-9,17H,10-12H2
InChIKeyMCKQQTMGXCTJNU-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.43
Rot. Bonds3

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

[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol (PubChem CID 90425557) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is [4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol
PubChem CID90425557
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol
SMILESOCc1ccc(C2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C16H16O3/c17-12-13-6-8-15(9-7-13)16(18-10-11-19-16)14-4-2-1-3-5-14/h1-9,17H,10-12H2
InChIKeyMCKQQTMGXCTJNU-UHFFFAOYSA-N
XLogP2.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol?
The IUPAC name of [4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol (CID 90425557) is [4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol.
What is the SMILES notation for [4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol?
The canonical SMILES for [4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol is OCc1ccc(C2(c3ccccc3)OCCO2)cc1.
What is the InChIKey of [4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol?
The InChIKey is MCKQQTMGXCTJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-12-13-6-8-15(9-7-13)16(18-10-11-19-16)14-4-2-1-3-5-14/h1-9,17H,10-12H2.
What are the key properties of [4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol?
[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol has a molecular weight of 256.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol is sourced from PubChem (CID 90425557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).