(3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene

C24H22 — CID 162936310

IUPAC(3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene
SMILESCC[C@H]1CCc2c1ccc1c2ccc2c3cccc(C)c3ccc12
InChIInChI=1S/C24H22/c1-3-16-7-8-20-18(16)10-12-24-22(20)14-13-21-19-6-4-5-15(2)17(19)9-11-23(21)24/h4-6,9-14,16H,3,7-8H2,1-2H3/t16-/m0/s1
InChIKeyPLRIOJGBYCEMLT-INIZCTEOSA-N
MW310.44 g/mol
LogP6.89
Rot. Bonds1

About (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene

(3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene (PubChem CID 162936310) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene.

Molecular Properties

Compound Name(3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene
PubChem CID162936310
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name(3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene
SMILESCC[C@H]1CCc2c1ccc1c2ccc2c3cccc(C)c3ccc12
InChIInChI=1S/C24H22/c1-3-16-7-8-20-18(16)10-12-24-22(20)14-13-21-19-6-4-5-15(2)17(19)9-11-23(21)24/h4-6,9-14,16H,3,7-8H2,1-2H3/t16-/m0/s1
InChIKeyPLRIOJGBYCEMLT-INIZCTEOSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 58222648
7-benzyl-7,8,9,10-tetrahydrochrysen-1-ol
CID 174480338
1,5-dimethylnaphthalene
CID 162159355
1-(bromomethyl)-1,2,3,4-tetrahydrochrysene
CID 174632843
1-ethyl-2,3-dihydro-1H-indene
CID 20971
4-ethyl-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 115063778
3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
1-butyl-1,2,3,4-tetrahydrochrysene;furan
CID 174895423
3-(1,2,3,4-tetrahydrochrysen-1-yl)propan-1-ol
CID 174262424
azane;1,2,3,4-tetrahydrochrysen-1-amine;hydrate
CID 174715110
methane;1-methylphenanthrene
CID 175001905
1,2-difluoro-1,2,3,4-tetrahydrochrysene
CID 174852608

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene?
The IUPAC name of (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene (CID 162936310) is (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene.
What is the SMILES notation for (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene?
The canonical SMILES for (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene is CC[C@H]1CCc2c1ccc1c2ccc2c3cccc(C)c3ccc12.
What is the InChIKey of (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene?
The InChIKey is PLRIOJGBYCEMLT-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22/c1-3-16-7-8-20-18(16)10-12-24-22(20)14-13-21-19-6-4-5-15(2)17(19)9-11-23(21)24/h4-6,9-14,16H,3,7-8H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene?
(3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene has a molecular weight of 310.44 g/mol, XLogP of 6.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene is sourced from PubChem (CID 162936310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).