2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde

C23H34O2 — CID 145059874

IUPAC2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde
SMILESCCCC1CCC(C2CCC(c3ccc(OC)c(C=O)c3)CC2)CC1
InChIInChI=1S/C23H34O2/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-23(25-2)22(15-21)16-24/h13-20H,3-12H2,1-2H3
InChIKeyNBSYCKBJUYNIKB-UHFFFAOYSA-N
MW342.52 g/mol
LogP6.39
Rot. Bonds6

About 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde

2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde (PubChem CID 145059874) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde
PubChem CID145059874
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde
SMILESCCCC1CCC(C2CCC(c3ccc(OC)c(C=O)c3)CC2)CC1
InChIInChI=1S/C23H34O2/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-23(25-2)22(15-21)16-24/h13-20H,3-12H2,1-2H3
InChIKeyNBSYCKBJUYNIKB-UHFFFAOYSA-N
XLogP6.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-hydroxypentoxy)-5-(4-pentylcyclohexyl)benzaldehyde
CID 169019412
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 21263652
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67893415
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde
CID 163427702
[4-methoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 20750984
1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride
CID 158026848
2-but-3-en-2-yl-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139756935
1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 143444546
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene
CID 20750897
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde?
The IUPAC name of 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde (CID 145059874) is 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde.
What is the SMILES notation for 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde?
The canonical SMILES for 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde is CCCC1CCC(C2CCC(c3ccc(OC)c(C=O)c3)CC2)CC1.
What is the InChIKey of 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde?
The InChIKey is NBSYCKBJUYNIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-23(25-2)22(15-21)16-24/h13-20H,3-12H2,1-2H3.
What are the key properties of 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde?
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde has a molecular weight of 342.52 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde is sourced from PubChem (CID 145059874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).