7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one

C24H34O2 — CID 58660468

IUPAC7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one
SMILESCCCC1CCC(C2CCC(c3ccc4c(c3)OCC(=O)C4)CC2)CC1
InChIInChI=1S/C24H34O2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-22-14-23(25)16-26-24(22)15-21/h12-13,15,17-20H,2-11,14,16H2,1H3
InChIKeyRSADQHREXDSAAW-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.07
Rot. Bonds4

About 7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one

7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one (PubChem CID 58660468) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one.

Molecular Properties

Compound Name7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one
PubChem CID58660468
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one
SMILESCCCC1CCC(C2CCC(c3ccc4c(c3)OCC(=O)C4)CC2)CC1
InChIInChI=1S/C24H34O2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-22-14-23(25)16-26-24(22)15-21/h12-13,15,17-20H,2-11,14,16H2,1H3
InChIKeyRSADQHREXDSAAW-UHFFFAOYSA-N
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one
CID 58660536
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde
CID 145059874
1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 143444546
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656726
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20683489
ethyl-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]silane
CID 123784930
1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139666683
pentafluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54147756

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one?
The IUPAC name of 7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one (CID 58660468) is 7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one.
What is the SMILES notation for 7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one?
The canonical SMILES for 7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one is CCCC1CCC(C2CCC(c3ccc4c(c3)OCC(=O)C4)CC2)CC1.
What is the InChIKey of 7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one?
The InChIKey is RSADQHREXDSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-22-14-23(25)16-26-24(22)15-21/h12-13,15,17-20H,2-11,14,16H2,1H3.
What are the key properties of 7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one?
7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one has a molecular weight of 354.53 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one is sourced from PubChem (CID 58660468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).