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

C30H43FO — CID 139863128

IUPAC1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESCCCCCC1CCC(C2CCC(CCc3ccc4c(F)c(OC)ccc4c3)CC2)CC1
InChIInChI=1S/C30H43FO/c1-3-4-5-6-22-9-14-25(15-10-22)26-16-11-23(12-17-26)7-8-24-13-19-28-27(21-24)18-20-29(32-2)30(28)31/h13,18-23,25-26H,3-12,14-17H2,1-2H3
InChIKeyITXMTJUGWRJOAF-UHFFFAOYSA-N
MW438.67 g/mol
LogP9.11
Rot. Bonds9

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

1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene (PubChem CID 139863128) has the molecular formula C30H43FO and a molecular weight of 438.67 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
PubChem CID139863128
Molecular FormulaC30H43FO
Molecular Weight438.67 g/mol
Exact Mass438.33
IUPAC Name1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESCCCCCC1CCC(C2CCC(CCc3ccc4c(F)c(OC)ccc4c3)CC2)CC1
InChIInChI=1S/C30H43FO/c1-3-4-5-6-22-9-14-25(15-10-22)26-16-11-23(12-17-26)7-8-24-13-19-28-27(21-24)18-20-29(32-2)30(28)31/h13,18-23,25-26H,3-12,14-17H2,1-2H3
InChIKeyITXMTJUGWRJOAF-UHFFFAOYSA-N
XLogP9.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.67
LogP ≤ 59.11
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

2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861552
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139873920
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-[2-(4-heptylcyclohexyl)ethyl]naphthalene
CID 139870919
1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene
CID 139860799
1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139872779
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139850972
2,3-difluoro-1-methoxy-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
CID 19792983
1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
CID 139862174
1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863294

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene (CID 139863128) is 1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene is CCCCCC1CCC(C2CCC(CCc3ccc4c(F)c(OC)ccc4c3)CC2)CC1.
What is the InChIKey of 1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The InChIKey is ITXMTJUGWRJOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43FO/c1-3-4-5-6-22-9-14-25(15-10-22)26-16-11-23(12-17-26)7-8-24-13-19-28-27(21-24)18-20-29(32-2)30(28)31/h13,18-23,25-26H,3-12,14-17H2,1-2H3.
What are the key properties of 1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene?
1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene has a molecular weight of 438.67 g/mol, XLogP of 9.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139863128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).