8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol

C37H56O2 — CID 154928109

IUPAC8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol
SMILESCCCCCC1CCC(C2CCC(c3ccc(-c4ccc(OCCCCCCCCO)cc4)cc3)CC2)CC1
InChIInChI=1S/C37H56O2/c1-2-3-8-11-30-12-14-31(15-13-30)32-16-18-33(19-17-32)34-20-22-35(23-21-34)36-24-26-37(27-25-36)39-29-10-7-5-4-6-9-28-38/h20-27,30-33,38H,2-19,28-29H2,1H3
InChIKeyHPGHXKMGOAIVTA-UHFFFAOYSA-N
MW532.85 g/mol
LogP10.73
Rot. Bonds16

About 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol

8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol (PubChem CID 154928109) has the molecular formula C37H56O2 and a molecular weight of 532.85 g/mol. Its IUPAC name is 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol.

Molecular Properties

Compound Name8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol
PubChem CID154928109
Molecular FormulaC37H56O2
Molecular Weight532.85 g/mol
Exact Mass532.43
IUPAC Name8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol
SMILESCCCCCC1CCC(C2CCC(c3ccc(-c4ccc(OCCCCCCCCO)cc4)cc3)CC2)CC1
InChIInChI=1S/C37H56O2/c1-2-3-8-11-30-12-14-31(15-13-30)32-16-18-33(19-17-32)34-20-22-35(23-21-34)36-24-26-37(27-25-36)39-29-10-7-5-4-6-9-28-38/h20-27,30-33,38H,2-19,28-29H2,1H3
InChIKeyHPGHXKMGOAIVTA-UHFFFAOYSA-N
XLogP10.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.85
LogP ≤ 510.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol with MolForge

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Related Compounds

1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenoxy]propan-1-ol
CID 159280590
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
CID 67066834
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
4-oxo-4-[6-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]hexoxy]butanoic acid
CID 162775623
1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
CID 59265311

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol?
The IUPAC name of 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol (CID 154928109) is 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol.
What is the SMILES notation for 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol?
The canonical SMILES for 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol is CCCCCC1CCC(C2CCC(c3ccc(-c4ccc(OCCCCCCCCO)cc4)cc3)CC2)CC1.
What is the InChIKey of 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol?
The InChIKey is HPGHXKMGOAIVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56O2/c1-2-3-8-11-30-12-14-31(15-13-30)32-16-18-33(19-17-32)34-20-22-35(23-21-34)36-24-26-37(27-25-36)39-29-10-7-5-4-6-9-28-38/h20-27,30-33,38H,2-19,28-29H2,1H3.
What are the key properties of 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol?
8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol has a molecular weight of 532.85 g/mol, XLogP of 10.73, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol is sourced from PubChem (CID 154928109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).