1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene

C28H39FO — CID 139863294

IUPAC1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
SMILESCCCCCC1CCC(C2CCC(c3ccc4cc(OC)ccc4c3F)CC2)CC1
InChIInChI=1S/C28H39FO/c1-3-4-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)26-17-15-24-19-25(30-2)16-18-27(24)28(26)29/h15-23H,3-14H2,1-2H3
InChIKeyWWCOBKQZUMSVQI-UHFFFAOYSA-N
MW410.62 g/mol
LogP8.65
Rot. Bonds7

About 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene

1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene (PubChem CID 139863294) has the molecular formula C28H39FO and a molecular weight of 410.62 g/mol. Its IUPAC name is 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
PubChem CID139863294
Molecular FormulaC28H39FO
Molecular Weight410.62 g/mol
Exact Mass410.30
IUPAC Name1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
SMILESCCCCCC1CCC(C2CCC(c3ccc4cc(OC)ccc4c3F)CC2)CC1
InChIInChI=1S/C28H39FO/c1-3-4-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)26-17-15-24-19-25(30-2)16-18-27(24)28(26)29/h15-23H,3-14H2,1-2H3
InChIKeyWWCOBKQZUMSVQI-UHFFFAOYSA-N
XLogP8.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.62
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene with MolForge

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

Launch Full Analysis

Related Compounds

1,2-difluoro-7-methoxy-3-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863125
1,2-difluoro-7-methoxy-3-(4-pentylcyclohexyl)naphthalene
CID 139864071
1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene
CID 139862915
7-ethoxy-1,2-difluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863036
1-(4-butylcyclohexyl)-4-methoxy-2-[5-methoxy-2-(4-pentylcyclohexyl)phenyl]benzene
CID 137402862
1,7-difluoro-2-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxynaphthalene
CID 22383101
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
CID 139850164
1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863128
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-(4-hexylcyclohexyl)naphthalene
CID 139876622
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
CID 139860510
1-fluoro-2-(4-heptylcyclohexyl)-6-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 139876198

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene?
The IUPAC name of 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene (CID 139863294) is 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene?
The canonical SMILES for 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene is CCCCCC1CCC(C2CCC(c3ccc4cc(OC)ccc4c3F)CC2)CC1.
What is the InChIKey of 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene?
The InChIKey is WWCOBKQZUMSVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39FO/c1-3-4-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)26-17-15-24-19-25(30-2)16-18-27(24)28(26)29/h15-23H,3-14H2,1-2H3.
What are the key properties of 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene?
1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene has a molecular weight of 410.62 g/mol, XLogP of 8.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene is sourced from PubChem (CID 139863294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).