2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene

C30H39FO — CID 139849045

IUPAC2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
SMILESCC=CCCOc1ccc2c(c1)CCC(c1ccc(C3CCC(CCC)CC3)cc1F)C2
InChIInChI=1S/C30H39FO/c1-3-5-6-18-32-28-16-14-24-19-27(13-12-25(24)20-28)29-17-15-26(21-30(29)31)23-10-8-22(7-4-2)9-11-23/h3,5,14-17,20-23,27H,4,6-13,18-19H2,1-2H3
InChIKeyGUYYWFNUDLUZMM-UHFFFAOYSA-N
MW434.64 g/mol
LogP8.52
Rot. Bonds8

About 2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene

2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849045) has the molecular formula C30H39FO and a molecular weight of 434.64 g/mol. Its IUPAC name is 2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID139849045
Molecular FormulaC30H39FO
Molecular Weight434.64 g/mol
Exact Mass434.30
IUPAC Name2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
SMILESCC=CCCOc1ccc2c(c1)CCC(c1ccc(C3CCC(CCC)CC3)cc1F)C2
InChIInChI=1S/C30H39FO/c1-3-5-6-18-32-28-16-14-24-19-27(13-12-25(24)20-28)29-17-15-26(21-30(29)31)23-10-8-22(7-4-2)9-11-23/h3,5,14-17,20-23,27H,4,6-13,18-19H2,1-2H3
InChIKeyGUYYWFNUDLUZMM-UHFFFAOYSA-N
XLogP8.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.64
LogP ≤ 58.52
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'}

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Related Compounds

6-but-2-enoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848843
2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848315
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
CID 139848448
2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849040
6-but-2-enoxy-2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849866
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-ethoxy-1,2,3,4-tetrahydronaphthalene
CID 139847867
2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848040
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
CID 139848399
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-pentoxy-1,2,3,4-tetrahydronaphthalene
CID 139848959
3-fluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848490
6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
CID 139849818
6-ethyl-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849224

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene (CID 139849045) is 2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene is CC=CCCOc1ccc2c(c1)CCC(c1ccc(C3CCC(CCC)CC3)cc1F)C2.
What is the InChIKey of 2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GUYYWFNUDLUZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FO/c1-3-5-6-18-32-28-16-14-24-19-27(13-12-25(24)20-28)29-17-15-26(21-30(29)31)23-10-8-22(7-4-2)9-11-23/h3,5,14-17,20-23,27H,4,6-13,18-19H2,1-2H3.
What are the key properties of 2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 434.64 g/mol, XLogP of 8.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).