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

C19H22O3 — CID 66788371

IUPAC[2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol
SMILESCCCC1COC(c2ccccc2)(c2ccccc2CO)O1
InChIInChI=1S/C19H22O3/c1-2-8-17-14-21-19(22-17,16-10-4-3-5-11-16)18-12-7-6-9-15(18)13-20/h3-7,9-12,17,20H,2,8,13-14H2,1H3
InChIKeyRLFYMSJMAXIDPI-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.60
Rot. Bonds5

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

[2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol (PubChem CID 66788371) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is [2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol
PubChem CID66788371
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name[2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol
SMILESCCCC1COC(c2ccccc2)(c2ccccc2CO)O1
InChIInChI=1S/C19H22O3/c1-2-8-17-14-21-19(22-17,16-10-4-3-5-11-16)18-12-7-6-9-15(18)13-20/h3-7,9-12,17,20H,2,8,13-14H2,1H3
InChIKeyRLFYMSJMAXIDPI-UHFFFAOYSA-N
XLogP3.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol?
The IUPAC name of [2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol (CID 66788371) is [2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol.
What is the SMILES notation for [2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol?
The canonical SMILES for [2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol is CCCC1COC(c2ccccc2)(c2ccccc2CO)O1.
What is the InChIKey of [2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol?
The InChIKey is RLFYMSJMAXIDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-2-8-17-14-21-19(22-17,16-10-4-3-5-11-16)18-12-7-6-9-15(18)13-20/h3-7,9-12,17,20H,2,8,13-14H2,1H3.
What are the key properties of [2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol?
[2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol has a molecular weight of 298.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol is sourced from PubChem (CID 66788371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).