6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol

C19H24O2 — CID 70623338

IUPAC6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol
SMILESC=CCC1=CC2OC(C)(C)C3C=CC(C)=CC3C2C(O)=C1
InChIInChI=1S/C19H24O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h5,7-11,14-15,17-18,20H,1,6H2,2-4H3
InChIKeyJMQBFXBNWVVEHP-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.49
Rot. Bonds2

About 6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol

6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol (PubChem CID 70623338) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol.

Molecular Properties

Compound Name6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol
PubChem CID70623338
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol
SMILESC=CCC1=CC2OC(C)(C)C3C=CC(C)=CC3C2C(O)=C1
InChIInChI=1S/C19H24O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h5,7-11,14-15,17-18,20H,1,6H2,2-4H3
InChIKeyJMQBFXBNWVVEHP-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol?
The IUPAC name of 6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol (CID 70623338) is 6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol.
What is the SMILES notation for 6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol?
The canonical SMILES for 6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol is C=CCC1=CC2OC(C)(C)C3C=CC(C)=CC3C2C(O)=C1.
What is the InChIKey of 6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol?
The InChIKey is JMQBFXBNWVVEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h5,7-11,14-15,17-18,20H,1,6H2,2-4H3.
What are the key properties of 6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol?
6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol has a molecular weight of 284.40 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9-trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 70623338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).