1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene

C23H30 — CID 140788276

IUPAC1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
SMILESCCCc1ccc(C2CCC(c3ccc(CC)cc3)CC2)cc1
InChIInChI=1S/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-13,22-23H,3-5,14-17H2,1-2H3
InChIKeyYGMDTEMRFHBSDO-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.64
Rot. Bonds5

About 1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene

1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene (PubChem CID 140788276) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
PubChem CID140788276
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
SMILESCCCc1ccc(C2CCC(c3ccc(CC)cc3)CC2)cc1
InChIInChI=1S/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-13,22-23H,3-5,14-17H2,1-2H3
InChIKeyYGMDTEMRFHBSDO-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
3-(4-propylphenyl)oxetane
CID 130361103
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene
CID 56985726
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene?
The IUPAC name of 1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene (CID 140788276) is 1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene is CCCc1ccc(C2CCC(c3ccc(CC)cc3)CC2)cc1.
What is the InChIKey of 1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene?
The InChIKey is YGMDTEMRFHBSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-13,22-23H,3-5,14-17H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene?
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene has a molecular weight of 306.49 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene is sourced from PubChem (CID 140788276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).