9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

C23H22O2 — CID 176660880

IUPAC9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
SMILESC=C1Oc2cc(/C=C/c3ccccc3)cc(O)c2C2C=C(C)CCC12
InChIInChI=1S/C23H22O2/c1-15-8-11-19-16(2)25-22-14-18(10-9-17-6-4-3-5-7-17)13-21(24)23(22)20(19)12-15/h3-7,9-10,12-14,19-20,24H,2,8,11H2,1H3/b10-9+
InChIKeyBLYPSRBLPZBNEW-MDZDMXLPSA-N
MW330.43 g/mol
LogP5.91
Rot. Bonds2

About 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol (PubChem CID 176660880) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol.

Molecular Properties

Compound Name9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
PubChem CID176660880
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
SMILESC=C1Oc2cc(/C=C/c3ccccc3)cc(O)c2C2C=C(C)CCC12
InChIInChI=1S/C23H22O2/c1-15-8-11-19-16(2)25-22-14-18(10-9-17-6-4-3-5-7-17)13-21(24)23(22)20(19)12-15/h3-7,9-10,12-14,19-20,24H,2,8,11H2,1H3/b10-9+
InChIKeyBLYPSRBLPZBNEW-MDZDMXLPSA-N
XLogP5.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol 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 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
The IUPAC name of 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol (CID 176660880) is 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol.
What is the SMILES notation for 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
The canonical SMILES for 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol is C=C1Oc2cc(/C=C/c3ccccc3)cc(O)c2C2C=C(C)CCC12.
What is the InChIKey of 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
The InChIKey is BLYPSRBLPZBNEW-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H22O2/c1-15-8-11-19-16(2)25-22-14-18(10-9-17-6-4-3-5-7-17)13-21(24)23(22)20(19)12-15/h3-7,9-10,12-14,19-20,24H,2,8,11H2,1H3/b10-9+.
What are the key properties of 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol has a molecular weight of 330.43 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-methylidene-3-[(E)-2-phenylethenyl]-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 176660880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).