5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol

C19H26O — CID 67683815

IUPAC5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol
SMILESCc1cc(C)c(C2=C(O)C3CCC(C)CC3C2)c(C)c1
InChIInChI=1S/C19H26O/c1-11-5-6-16-15(9-11)10-17(19(16)20)18-13(3)7-12(2)8-14(18)4/h7-8,11,15-16,20H,5-6,9-10H2,1-4H3
InChIKeyJCRQOJGRZRTYGA-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.34
Rot. Bonds1

About 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol

5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol (PubChem CID 67683815) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol.

Molecular Properties

Compound Name5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol
PubChem CID67683815
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol
SMILESCc1cc(C)c(C2=C(O)C3CCC(C)CC3C2)c(C)c1
InChIInChI=1S/C19H26O/c1-11-5-6-16-15(9-11)10-17(19(16)20)18-13(3)7-12(2)8-14(18)4/h7-8,11,15-16,20H,5-6,9-10H2,1-4H3
InChIKeyJCRQOJGRZRTYGA-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol with MolForge

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Related Compounds

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(3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol
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CID 116963209
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol?
The IUPAC name of 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol (CID 67683815) is 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol.
What is the SMILES notation for 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol?
The canonical SMILES for 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol is Cc1cc(C)c(C2=C(O)C3CCC(C)CC3C2)c(C)c1.
What is the InChIKey of 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol?
The InChIKey is JCRQOJGRZRTYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-11-5-6-16-15(9-11)10-17(19(16)20)18-13(3)7-12(2)8-14(18)4/h7-8,11,15-16,20H,5-6,9-10H2,1-4H3.
What are the key properties of 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol?
5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol has a molecular weight of 270.42 g/mol, XLogP of 5.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol is sourced from PubChem (CID 67683815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).