1-butoxy-4-(4-propylcyclohexyl)benzene

C19H30O — CID 583799

IUPAC1-butoxy-4-(4-propylcyclohexyl)benzene
SMILESCCCCOc1ccc(C2CCC(CCC)CC2)cc1
InChIInChI=1S/C19H30O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h11-14,16-17H,3-10,15H2,1-2H3
InChIKeyBPVJENLMEMWFBW-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.94
Rot. Bonds7

About 1-butoxy-4-(4-propylcyclohexyl)benzene

1-butoxy-4-(4-propylcyclohexyl)benzene (PubChem CID 583799) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-butoxy-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-butoxy-4-(4-propylcyclohexyl)benzene
PubChem CID583799
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-butoxy-4-(4-propylcyclohexyl)benzene
SMILESCCCCOc1ccc(C2CCC(CCC)CC2)cc1
InChIInChI=1S/C19H30O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h11-14,16-17H,3-10,15H2,1-2H3
InChIKeyBPVJENLMEMWFBW-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-butoxy-4-(4-propylcyclohexyl)benzene (CID 583799) is 1-butoxy-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-butoxy-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-butoxy-4-(4-propylcyclohexyl)benzene is CCCCOc1ccc(C2CCC(CCC)CC2)cc1.
What is the InChIKey of 1-butoxy-4-(4-propylcyclohexyl)benzene?
The InChIKey is BPVJENLMEMWFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h11-14,16-17H,3-10,15H2,1-2H3.
What are the key properties of 1-butoxy-4-(4-propylcyclohexyl)benzene?
1-butoxy-4-(4-propylcyclohexyl)benzene has a molecular weight of 274.45 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 583799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).