6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol

C16H22O2 — CID 70575150

IUPAC6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol
SMILESCC1=CC2=C3C(O)CCCC3OC(C)(C)C2C=C1
InChIInChI=1S/C16H22O2/c1-10-7-8-12-11(9-10)15-13(17)5-4-6-14(15)18-16(12,2)3/h7-9,12-14,17H,4-6H2,1-3H3
InChIKeyDFIDSSJDIXZYBH-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.14
Rot. Bonds

About 6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol

6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol (PubChem CID 70575150) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol.

Molecular Properties

Compound Name6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol
PubChem CID70575150
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol
SMILESCC1=CC2=C3C(O)CCCC3OC(C)(C)C2C=C1
InChIInChI=1S/C16H22O2/c1-10-7-8-12-11(9-10)15-13(17)5-4-6-14(15)18-16(12,2)3/h7-9,12-14,17H,4-6H2,1-3H3
InChIKeyDFIDSSJDIXZYBH-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol?
The IUPAC name of 6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol (CID 70575150) is 6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol.
What is the SMILES notation for 6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol?
The canonical SMILES for 6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol is CC1=CC2=C3C(O)CCCC3OC(C)(C)C2C=C1.
What is the InChIKey of 6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol?
The InChIKey is DFIDSSJDIXZYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-10-7-8-12-11(9-10)15-13(17)5-4-6-14(15)18-16(12,2)3/h7-9,12-14,17H,4-6H2,1-3H3.
What are the key properties of 6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol?
6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9-trimethyl-1,2,3,4,4a,6a-hexahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 70575150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).