4-cyclohexyl-1,2,3,4-tetrahydrochrysene

C24H26 — CID 174613496

IUPAC4-cyclohexyl-1,2,3,4-tetrahydrochrysene
SMILESc1ccc2c(c1)ccc1c3c(ccc12)CCCC3C1CCCCC1
InChIInChI=1S/C24H26/c1-2-7-17(8-3-1)21-12-6-10-19-14-15-22-20-11-5-4-9-18(20)13-16-23(22)24(19)21/h4-5,9,11,13-17,21H,1-3,6-8,10,12H2
InChIKeyBZKKGKQZHFGXJW-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.99
Rot. Bonds1

About 4-cyclohexyl-1,2,3,4-tetrahydrochrysene

4-cyclohexyl-1,2,3,4-tetrahydrochrysene (PubChem CID 174613496) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 4-cyclohexyl-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name4-cyclohexyl-1,2,3,4-tetrahydrochrysene
PubChem CID174613496
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name4-cyclohexyl-1,2,3,4-tetrahydrochrysene
SMILESc1ccc2c(c1)ccc1c3c(ccc12)CCCC3C1CCCCC1
InChIInChI=1S/C24H26/c1-2-7-17(8-3-1)21-12-6-10-19-14-15-22-20-11-5-4-9-18(20)13-16-23(22)24(19)21/h4-5,9,11,13-17,21H,1-3,6-8,10,12H2
InChIKeyBZKKGKQZHFGXJW-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetrahydrochrysen-4-ylmethanamine
CID 174766755
2-(1,2,3,4-tetrahydrochrysen-4-yl)quinoline
CID 174315423
1,2,3,4-tetrahydrochrysen-4-amine;2H-thiopyran
CID 174606924
1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride
CID 174402919
3-(1,2,3,4-tetrahydrochrysen-4-yl)-1,2-benzothiazepine
CID 174281415
4-(3-methoxyphenyl)-1,2,3,4-tetrahydrochrysene
CID 174522262
2-(1,2,3,4-tetrahydrochrysen-4-yl)-1H-quinolin-4-one
CID 174377397
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
pentacyclo[8.8.0.02,7.03,6.011,16]octadeca-1(10),2(7),8,11,13,15,17-heptaene
CID 174715167
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine
CID 174813719

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 4-cyclohexyl-1,2,3,4-tetrahydrochrysene (CID 174613496) is 4-cyclohexyl-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 4-cyclohexyl-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 4-cyclohexyl-1,2,3,4-tetrahydrochrysene is c1ccc2c(c1)ccc1c3c(ccc12)CCCC3C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1,2,3,4-tetrahydrochrysene?
The InChIKey is BZKKGKQZHFGXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-2-7-17(8-3-1)21-12-6-10-19-14-15-22-20-11-5-4-9-18(20)13-16-23(22)24(19)21/h4-5,9,11,13-17,21H,1-3,6-8,10,12H2.
What are the key properties of 4-cyclohexyl-1,2,3,4-tetrahydrochrysene?
4-cyclohexyl-1,2,3,4-tetrahydrochrysene has a molecular weight of 314.47 g/mol, XLogP of 6.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174613496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).