4-(4-heptoxyphenyl)cyclohexan-1-one

C19H28O2 — CID 71477093

IUPAC4-(4-heptoxyphenyl)cyclohexan-1-one
SMILESCCCCCCCOc1ccc(C2CCC(=O)CC2)cc1
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-15-21-19-13-9-17(10-14-19)16-7-11-18(20)12-8-16/h9-10,13-14,16H,2-8,11-12,15H2,1H3
InChIKeyUOHYVQWRMPVBHG-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.26
Rot. Bonds8

About 4-(4-heptoxyphenyl)cyclohexan-1-one

4-(4-heptoxyphenyl)cyclohexan-1-one (PubChem CID 71477093) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-(4-heptoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-heptoxyphenyl)cyclohexan-1-one
PubChem CID71477093
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name4-(4-heptoxyphenyl)cyclohexan-1-one
SMILESCCCCCCCOc1ccc(C2CCC(=O)CC2)cc1
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-15-21-19-13-9-17(10-14-19)16-7-11-18(20)12-8-16/h9-10,13-14,16H,2-8,11-12,15H2,1H3
InChIKeyUOHYVQWRMPVBHG-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-heptoxybenzene
CID 56628106
4-[4-(3-chloropropoxy)phenyl]cyclohexan-1-one
CID 23150298
4-(4-octoxyphenyl)piperidine
CID 90176821
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-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136

Frequently Asked Questions

What is the IUPAC name of 4-(4-heptoxyphenyl)cyclohexan-1-one?
The IUPAC name of 4-(4-heptoxyphenyl)cyclohexan-1-one (CID 71477093) is 4-(4-heptoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-heptoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-heptoxyphenyl)cyclohexan-1-one is CCCCCCCOc1ccc(C2CCC(=O)CC2)cc1.
What is the InChIKey of 4-(4-heptoxyphenyl)cyclohexan-1-one?
The InChIKey is UOHYVQWRMPVBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-3-4-5-6-15-21-19-13-9-17(10-14-19)16-7-11-18(20)12-8-16/h9-10,13-14,16H,2-8,11-12,15H2,1H3.
What are the key properties of 4-(4-heptoxyphenyl)cyclohexan-1-one?
4-(4-heptoxyphenyl)cyclohexan-1-one has a molecular weight of 288.43 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-heptoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 71477093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).