1-cyclohexyl-4-heptoxybenzene

C19H30O — CID 56628106

IUPAC1-cyclohexyl-4-heptoxybenzene
SMILESCCCCCCCOc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H30O/c1-2-3-4-5-9-16-20-19-14-12-18(13-15-19)17-10-7-6-8-11-17/h12-15,17H,2-11,16H2,1H3
InChIKeyDPLPFZSIXQYJAO-UHFFFAOYSA-N
MW274.45 g/mol
LogP6.08
Rot. Bonds8

About 1-cyclohexyl-4-heptoxybenzene

1-cyclohexyl-4-heptoxybenzene (PubChem CID 56628106) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-cyclohexyl-4-heptoxybenzene.

Molecular Properties

Compound Name1-cyclohexyl-4-heptoxybenzene
PubChem CID56628106
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-cyclohexyl-4-heptoxybenzene
SMILESCCCCCCCOc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H30O/c1-2-3-4-5-9-16-20-19-14-12-18(13-15-19)17-10-7-6-8-11-17/h12-15,17H,2-11,16H2,1H3
InChIKeyDPLPFZSIXQYJAO-UHFFFAOYSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 56.08
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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Related Compounds

(4-cyclohexylphenyl) 4-decoxybenzoate
CID 70557879
4-(4-heptoxyphenyl)cyclohexan-1-one
CID 71477093
4-(4-octoxyphenyl)piperidine
CID 90176821
2-(4-cyclohexylphenyl)-5-octoxypyrimidine
CID 54232091
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
3,11-bis(4-nonoxyphenyl)dispiro[5.1.58.16]tetradecane
CID 159804370
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-heptoxybenzene?
The IUPAC name of 1-cyclohexyl-4-heptoxybenzene (CID 56628106) is 1-cyclohexyl-4-heptoxybenzene.
What is the SMILES notation for 1-cyclohexyl-4-heptoxybenzene?
The canonical SMILES for 1-cyclohexyl-4-heptoxybenzene is CCCCCCCOc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-heptoxybenzene?
The InChIKey is DPLPFZSIXQYJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-2-3-4-5-9-16-20-19-14-12-18(13-15-19)17-10-7-6-8-11-17/h12-15,17H,2-11,16H2,1H3.
What are the key properties of 1-cyclohexyl-4-heptoxybenzene?
1-cyclohexyl-4-heptoxybenzene has a molecular weight of 274.45 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-heptoxybenzene is sourced from PubChem (CID 56628106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).