3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene

C25H29FO — CID 139961102

IUPAC3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene
SMILESCCC1CCC(c2ccc(C3=Cc4cc(F)c(OC)cc4CC3)cc2)CC1
InChIInChI=1S/C25H29FO/c1-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-22-16-25(27-2)24(26)15-23(22)14-21/h8-11,14-18H,3-7,12-13H2,1-2H3
InChIKeyBACMLXOZXCKGOP-UHFFFAOYSA-N
MW364.50 g/mol
LogP7.00
Rot. Bonds4

About 3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene

3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene (PubChem CID 139961102) has the molecular formula C25H29FO and a molecular weight of 364.50 g/mol. Its IUPAC name is 3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene
PubChem CID139961102
Molecular FormulaC25H29FO
Molecular Weight364.50 g/mol
Exact Mass364.22
IUPAC Name3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene
SMILESCCC1CCC(c2ccc(C3=Cc4cc(F)c(OC)cc4CC3)cc2)CC1
InChIInChI=1S/C25H29FO/c1-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-22-16-25(27-2)24(26)15-23(22)14-21/h8-11,14-18H,3-7,12-13H2,1-2H3
InChIKeyBACMLXOZXCKGOP-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961130
6-fluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-7-methoxy-1,2-dihydronaphthalene
CID 139961109
7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139961108
3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
CID 139951917
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961429
3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961323
3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961178
3-(4-butyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961426
6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 139961212
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
2-fluoro-1-methoxy-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809360
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The IUPAC name of 3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene (CID 139961102) is 3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The canonical SMILES for 3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene is CCC1CCC(c2ccc(C3=Cc4cc(F)c(OC)cc4CC3)cc2)CC1.
What is the InChIKey of 3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The InChIKey is BACMLXOZXCKGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FO/c1-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-22-16-25(27-2)24(26)15-23(22)14-21/h8-11,14-18H,3-7,12-13H2,1-2H3.
What are the key properties of 3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene has a molecular weight of 364.50 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 139961102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).