4-(4-propylphenyl)cyclohexane-1-carbaldehyde

C16H22O — CID 86668457

IUPAC4-(4-propylphenyl)cyclohexane-1-carbaldehyde
SMILESCCCc1ccc(C2CCC(C=O)CC2)cc1
InChIInChI=1S/C16H22O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-5,8-9,12,14,16H,2-3,6-7,10-11H2,1H3
InChIKeyQSAPYMQMRKCZTC-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.11
Rot. Bonds4

About 4-(4-propylphenyl)cyclohexane-1-carbaldehyde

4-(4-propylphenyl)cyclohexane-1-carbaldehyde (PubChem CID 86668457) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(4-propylphenyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-propylphenyl)cyclohexane-1-carbaldehyde
PubChem CID86668457
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-(4-propylphenyl)cyclohexane-1-carbaldehyde
SMILESCCCc1ccc(C2CCC(C=O)CC2)cc1
InChIInChI=1S/C16H22O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-5,8-9,12,14,16H,2-3,6-7,10-11H2,1H3
InChIKeyQSAPYMQMRKCZTC-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde
CID 54105713
1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene
CID 22915848
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
5-[4-(4-propylphenyl)cyclohexyl]penta-2,4-dienenitrile
CID 54105886
(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19612816
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(4-propylphenyl)cyclohexane-1-carbaldehyde (CID 86668457) is 4-(4-propylphenyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(4-propylphenyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(4-propylphenyl)cyclohexane-1-carbaldehyde is CCCc1ccc(C2CCC(C=O)CC2)cc1.
What is the InChIKey of 4-(4-propylphenyl)cyclohexane-1-carbaldehyde?
The InChIKey is QSAPYMQMRKCZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-5,8-9,12,14,16H,2-3,6-7,10-11H2,1H3.
What are the key properties of 4-(4-propylphenyl)cyclohexane-1-carbaldehyde?
4-(4-propylphenyl)cyclohexane-1-carbaldehyde has a molecular weight of 230.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 86668457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).