2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol

C17H16O — CID 22226232

IUPAC2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol
SMILESOc1ccccc1/C=C/Cc1ccc2c(c1)CC2
InChIInChI=1S/C17H16O/c18-17-7-2-1-5-15(17)6-3-4-13-8-9-14-10-11-16(14)12-13/h1-3,5-9,12,18H,4,10-11H2/b6-3+
InChIKeySKDLFYKDFDTBAR-ZZXKWVIFSA-N
MW236.31 g/mol
LogP3.75
Rot. Bonds3

About 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol

2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol (PubChem CID 22226232) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol
PubChem CID22226232
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol
SMILESOc1ccccc1/C=C/Cc1ccc2c(c1)CC2
InChIInChI=1S/C17H16O/c18-17-7-2-1-5-15(17)6-3-4-13-8-9-14-10-11-16(14)12-13/h1-3,5-9,12,18H,4,10-11H2/b6-3+
InChIKeySKDLFYKDFDTBAR-ZZXKWVIFSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol 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

2-(4-sulfanylbut-1-enyl)phenol
CID 170477733
2-(3-sulfanylprop-1-enyl)phenol
CID 169454568
2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol
CID 174929671
3-(chloromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 11804968
2-(3-piperidin-1-ylprop-1-enyl)phenol
CID 150024311
3-(8-phenyloctyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 143940802
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol
CID 162361533
2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
CID 89362238
5-benzyl-2,3-dihydro-1H-indene
CID 142307005
5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine
CID 79591857
(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid
CID 58721548

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol?
The IUPAC name of 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol (CID 22226232) is 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol.
What is the SMILES notation for 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol?
The canonical SMILES for 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol is Oc1ccccc1/C=C/Cc1ccc2c(c1)CC2.
What is the InChIKey of 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol?
The InChIKey is SKDLFYKDFDTBAR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H16O/c18-17-7-2-1-5-15(17)6-3-4-13-8-9-14-10-11-16(14)12-13/h1-3,5-9,12,18H,4,10-11H2/b6-3+.
What are the key properties of 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol?
2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol is sourced from PubChem (CID 22226232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).