1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene

C19H30O — CID 176831557

IUPAC1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene
SMILESCCC(CC)c1ccc(OC(C)C2CCCCC2)cc1
InChIInChI=1S/C19H30O/c1-4-16(5-2)18-11-13-19(14-12-18)20-15(3)17-9-7-6-8-10-17/h11-17H,4-10H2,1-3H3
InChIKeyKSRMOCYPWIWVDJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.94
Rot. Bonds6

About 1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene

1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene (PubChem CID 176831557) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene.

Molecular Properties

Compound Name1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene
PubChem CID176831557
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene
SMILESCCC(CC)c1ccc(OC(C)C2CCCCC2)cc1
InChIInChI=1S/C19H30O/c1-4-16(5-2)18-11-13-19(14-12-18)20-15(3)17-9-7-6-8-10-17/h11-17H,4-10H2,1-3H3
InChIKeyKSRMOCYPWIWVDJ-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

1-bromo-4-(1-cyclohexylethoxy)benzene
CID 68813253
[4-(1-cyclohexylethoxy)phenyl]methanol
CID 68815340
[4-(1-cyclohexylethoxy)phenyl]methanamine
CID 66706852
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
1-[4-(1-cyclohexylethoxy)phenyl]piperidine
CID 154185560
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
1-butan-2-yl-4-[3,3-dicyclohexyl-1-(cyclohexylmethoxy)propoxy]benzene
CID 118048632
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
1-(3,3-dicyclohexyl-1-propan-2-yloxypropoxy)-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123388037
1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene
CID 61085826

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene?
The IUPAC name of 1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene (CID 176831557) is 1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene.
What is the SMILES notation for 1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene?
The canonical SMILES for 1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene is CCC(CC)c1ccc(OC(C)C2CCCCC2)cc1.
What is the InChIKey of 1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene?
The InChIKey is KSRMOCYPWIWVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-4-16(5-2)18-11-13-19(14-12-18)20-15(3)17-9-7-6-8-10-17/h11-17H,4-10H2,1-3H3.
What are the key properties of 1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene?
1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene has a molecular weight of 274.45 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene is sourced from PubChem (CID 176831557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).