9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

C19H24O3 — CID 70599050

IUPAC9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
SMILESC=CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21
InChIInChI=1S/C19H24O3/c1-4-5-12-9-16(21)18-14-8-13(11-20)6-7-15(14)19(2,3)22-17(18)10-12/h4,8-10,14-15,20-21H,1,5-7,11H2,2-3H3
InChIKeyAWHJIWJQZJLXAI-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.70
Rot. Bonds3

About 9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol (PubChem CID 70599050) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol.

Molecular Properties

Compound Name9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
PubChem CID70599050
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
SMILESC=CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21
InChIInChI=1S/C19H24O3/c1-4-5-12-9-16(21)18-14-8-13(11-20)6-7-15(14)19(2,3)22-17(18)10-12/h4,8-10,14-15,20-21H,1,5-7,11H2,2-3H3
InChIKeyAWHJIWJQZJLXAI-UHFFFAOYSA-N
XLogP3.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-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-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
The IUPAC name of 9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol (CID 70599050) is 9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol.
What is the SMILES notation for 9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
The canonical SMILES for 9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol is C=CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21.
What is the InChIKey of 9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
The InChIKey is AWHJIWJQZJLXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-4-5-12-9-16(21)18-14-8-13(11-20)6-7-15(14)19(2,3)22-17(18)10-12/h4,8-10,14-15,20-21H,1,5-7,11H2,2-3H3.
What are the key properties of 9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol has a molecular weight of 300.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethyl)-6,6-dimethyl-3-prop-2-enyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 70599050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).