1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol

C24H26O — CID 174646887

IUPAC1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol
SMILESCC1(O)C=CC(C2CCCC2)=c2ccc3c(c21)CCC1C=CC=CC=31
InChIInChI=1S/C24H26O/c1-24(25)15-14-19(16-6-2-3-7-16)21-13-12-20-18-9-5-4-8-17(18)10-11-22(20)23(21)24/h4-5,8-9,12-17,25H,2-3,6-7,10-11H2,1H3
InChIKeyZPZDQMOKXHUZQR-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.64
Rot. Bonds1

About 1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol

1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol (PubChem CID 174646887) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol.

Molecular Properties

Compound Name1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol
PubChem CID174646887
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol
SMILESCC1(O)C=CC(C2CCCC2)=c2ccc3c(c21)CCC1C=CC=CC=31
InChIInChI=1S/C24H26O/c1-24(25)15-14-19(16-6-2-3-7-16)21-13-12-20-18-9-5-4-8-17(18)10-11-22(20)23(21)24/h4-5,8-9,12-17,25H,2-3,6-7,10-11H2,1H3
InChIKeyZPZDQMOKXHUZQR-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol?
The IUPAC name of 1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol (CID 174646887) is 1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol.
What is the SMILES notation for 1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol?
The canonical SMILES for 1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol is CC1(O)C=CC(C2CCCC2)=c2ccc3c(c21)CCC1C=CC=CC=31.
What is the InChIKey of 1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol?
The InChIKey is ZPZDQMOKXHUZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-24(25)15-14-19(16-6-2-3-7-16)21-13-12-20-18-9-5-4-8-17(18)10-11-22(20)23(21)24/h4-5,8-9,12-17,25H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol?
1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol has a molecular weight of 330.47 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol is sourced from PubChem (CID 174646887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).