6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol

C19H22O2 — CID 622545

IUPAC6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
SMILESCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIInChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
InChIKeySVTKBAIRFMXQQF-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.95
Rot. Bonds2

About 6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol

6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol (PubChem CID 622545) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol.

Molecular Properties

Compound Name6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
PubChem CID622545
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
SMILESCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIInChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
InChIKeySVTKBAIRFMXQQF-UHFFFAOYSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Equol
CID 91469
Tetrahydrocannabinol
CID 16078
Tocopherols
CID 14986
(+)-gamma-Tocopherol
CID 92729
Glabridin
CID 124052
Cannabinol
CID 2543
Nabilone
CID 5284592
Delta-8-Tetrahydrocannabinol
CID 638026
Gamma-Tocotrienol
CID 5282349
Dexanabinol
CID 107778
(+-)-Cannabichromene
CID 30219
Alpha-Tocotrienol
CID 5282347

Frequently Asked Questions

What is the IUPAC name of 6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?
The IUPAC name of 6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol (CID 622545) is 6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol.
What is the SMILES notation for 6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?
The canonical SMILES for 6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol is CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.
What is the InChIKey of 6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?
The InChIKey is SVTKBAIRFMXQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3.
What are the key properties of 6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?
6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol has a molecular weight of 282.38 g/mol, XLogP of 4.95, 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-propylbenzo[c]chromen-1-ol is sourced from PubChem (CID 622545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).