1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene

C24H31FO — CID 139862915

IUPAC1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2c(F)c(C3CCC(CCCCC)CC3)ccc2c1
InChIInChI=1S/C24H31FO/c1-3-5-6-7-18-8-10-19(11-9-18)22-14-12-20-17-21(26-16-4-2)13-15-23(20)24(22)25/h4,12-15,17-19H,2-3,5-11,16H2,1H3
InChIKeyOYRGPUQNZDWTPP-UHFFFAOYSA-N
MW354.51 g/mol
LogP7.40
Rot. Bonds8

About 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene

1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene (PubChem CID 139862915) has the molecular formula C24H31FO and a molecular weight of 354.51 g/mol. Its IUPAC name is 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene
PubChem CID139862915
Molecular FormulaC24H31FO
Molecular Weight354.51 g/mol
Exact Mass354.24
IUPAC Name1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2c(F)c(C3CCC(CCCCC)CC3)ccc2c1
InChIInChI=1S/C24H31FO/c1-3-5-6-7-18-8-10-19(11-9-18)22-14-12-20-17-21(26-16-4-2)13-15-23(20)24(22)25/h4,12-15,17-19H,2-3,5-11,16H2,1H3
InChIKeyOYRGPUQNZDWTPP-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.51
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene 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-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139861475
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
CID 139860510
1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863294
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
2-[(2R,4aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,7-difluoro-6-prop-2-enoxynaphthalene
CID 20807690
1,8-difluoro-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-prop-2-enoxynaphthalene
CID 22383941
1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
CID 139862174
7-ethoxy-1,2-difluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863036
2-(4-but-3-enylcyclohexyl)-6-ethyl-1-fluoronaphthalene
CID 139861557
1,2-difluoro-7-methoxy-3-(4-pentylcyclohexyl)naphthalene
CID 139864071
2-[(2R,4aR)-6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,8-difluoro-6-prop-2-enoxynaphthalene
CID 70229900

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene?
The IUPAC name of 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene (CID 139862915) is 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene.
What is the SMILES notation for 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene?
The canonical SMILES for 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene is C=CCOc1ccc2c(F)c(C3CCC(CCCCC)CC3)ccc2c1.
What is the InChIKey of 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene?
The InChIKey is OYRGPUQNZDWTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FO/c1-3-5-6-7-18-8-10-19(11-9-18)22-14-12-20-17-21(26-16-4-2)13-15-23(20)24(22)25/h4,12-15,17-19H,2-3,5-11,16H2,1H3.
What are the key properties of 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene?
1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene has a molecular weight of 354.51 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene is sourced from PubChem (CID 139862915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).