1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene

C35H51FO — CID 21265184

IUPAC1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene
SMILESCCC(OC)C1CCC(CCc2ccc(-c3ccc(C4CCC(CCCCCF)CC4)cc3)cc2)CC1
InChIInChI=1S/C35H51FO/c1-3-35(37-2)34-20-14-29(15-21-34)9-8-28-12-18-31(19-13-28)33-24-22-32(23-25-33)30-16-10-27(11-17-30)7-5-4-6-26-36/h12-13,18-19,22-25,27,29-30,34-35H,3-11,14-17,20-21,26H2,1-2H3
InChIKeyJAHAVJGPCBURQR-UHFFFAOYSA-N
MW506.79 g/mol
LogP10.32
Rot. Bonds13

About 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene

1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene (PubChem CID 21265184) has the molecular formula C35H51FO and a molecular weight of 506.79 g/mol. Its IUPAC name is 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene
PubChem CID21265184
Molecular FormulaC35H51FO
Molecular Weight506.79 g/mol
Exact Mass506.39
IUPAC Name1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene
SMILESCCC(OC)C1CCC(CCc2ccc(-c3ccc(C4CCC(CCCCCF)CC4)cc3)cc2)CC1
InChIInChI=1S/C35H51FO/c1-3-35(37-2)34-20-14-29(15-21-34)9-8-28-12-18-31(19-13-28)33-24-22-32(23-25-33)30-16-10-27(11-17-30)7-5-4-6-26-36/h12-13,18-19,22-25,27,29-30,34-35H,3-11,14-17,20-21,26H2,1-2H3
InChIKeyJAHAVJGPCBURQR-UHFFFAOYSA-N
XLogP10.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.79
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene?
The IUPAC name of 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene (CID 21265184) is 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene.
What is the SMILES notation for 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene?
The canonical SMILES for 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene is CCC(OC)C1CCC(CCc2ccc(-c3ccc(C4CCC(CCCCCF)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene?
The InChIKey is JAHAVJGPCBURQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51FO/c1-3-35(37-2)34-20-14-29(15-21-34)9-8-28-12-18-31(19-13-28)33-24-22-32(23-25-33)30-16-10-27(11-17-30)7-5-4-6-26-36/h12-13,18-19,22-25,27,29-30,34-35H,3-11,14-17,20-21,26H2,1-2H3.
What are the key properties of 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene?
1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene has a molecular weight of 506.79 g/mol, XLogP of 10.32, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoropentyl)cyclohexyl]-4-[4-[2-[4-(1-methoxypropyl)cyclohexyl]ethyl]phenyl]benzene is sourced from PubChem (CID 21265184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).