5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol

C17H16O3 — CID 53344995

IUPAC5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol
SMILESC=C(CCc1ccccc1)c1ccc2c(c1O)OCO2
InChIInChI=1S/C17H16O3/c1-12(7-8-13-5-3-2-4-6-13)14-9-10-15-17(16(14)18)20-11-19-15/h2-6,9-10,18H,1,7-8,11H2
InChIKeyFZVSHKIVKXVVLO-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.77
Rot. Bonds4

About 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol

5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol (PubChem CID 53344995) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol
PubChem CID53344995
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol
SMILESC=C(CCc1ccccc1)c1ccc2c(c1O)OCO2
InChIInChI=1S/C17H16O3/c1-12(7-8-13-5-3-2-4-6-13)14-9-10-15-17(16(14)18)20-11-19-15/h2-6,9-10,18H,1,7-8,11H2
InChIKeyFZVSHKIVKXVVLO-UHFFFAOYSA-N
XLogP3.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol 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

5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
CID 117279028
4-phenylmethoxy-1,3-benzodioxole
CID 14180566
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
5-(4-aminobutyl)-1,3-benzodioxol-4-ol
CID 117298514
6-benzyl-1,3-benzodioxol-5-ol
CID 14640212
5-(aminooxymethyl)-1,3-benzodioxol-4-ol
CID 117279345
(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
CID 91828142
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol
CID 117284324
4-benzylsulfanyl-6-prop-2-enyl-1,3-benzodioxol-5-ol
CID 89368483
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 18972190
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol?
The IUPAC name of 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol (CID 53344995) is 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol.
What is the SMILES notation for 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol?
The canonical SMILES for 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol is C=C(CCc1ccccc1)c1ccc2c(c1O)OCO2.
What is the InChIKey of 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol?
The InChIKey is FZVSHKIVKXVVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12(7-8-13-5-3-2-4-6-13)14-9-10-15-17(16(14)18)20-11-19-15/h2-6,9-10,18H,1,7-8,11H2.
What are the key properties of 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol?
5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol has a molecular weight of 268.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylbut-1-en-2-yl)-1,3-benzodioxol-4-ol is sourced from PubChem (CID 53344995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).