4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol

C24H26F2O — CID 139480711

IUPAC4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol
SMILESC=C(O)C(C)Cc1ccc(CCC2=C(c3ccc(F)cc3)CCC2)c(F)c1
InChIInChI=1S/C24H26F2O/c1-16(17(2)27)14-18-6-7-21(24(26)15-18)9-8-19-4-3-5-23(19)20-10-12-22(25)13-11-20/h6-7,10-13,15-16,27H,2-5,8-9,14H2,1H3
InChIKeyJKXAGBSMFFZLAY-UHFFFAOYSA-N
MW368.47 g/mol
LogP6.79
Rot. Bonds7

About 4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol

4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol (PubChem CID 139480711) has the molecular formula C24H26F2O and a molecular weight of 368.47 g/mol. Its IUPAC name is 4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol.

Molecular Properties

Compound Name4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol
PubChem CID139480711
Molecular FormulaC24H26F2O
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol
SMILESC=C(O)C(C)Cc1ccc(CCC2=C(c3ccc(F)cc3)CCC2)c(F)c1
InChIInChI=1S/C24H26F2O/c1-16(17(2)27)14-18-6-7-21(24(26)15-18)9-8-19-4-3-5-23(19)20-10-12-22(25)13-11-20/h6-7,10-13,15-16,27H,2-5,8-9,14H2,1H3
InChIKeyJKXAGBSMFFZLAY-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene
CID 69482727
5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene
CID 162702604
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
CID 139480362
1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene
CID 142354572
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
CID 71103129
1-(2,4-difluorophenyl)-8-phenylnonan-3-ol
CID 58861727
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117287870
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol?
The IUPAC name of 4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol (CID 139480711) is 4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol.
What is the SMILES notation for 4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol?
The canonical SMILES for 4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol is C=C(O)C(C)Cc1ccc(CCC2=C(c3ccc(F)cc3)CCC2)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol?
The InChIKey is JKXAGBSMFFZLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2O/c1-16(17(2)27)14-18-6-7-21(24(26)15-18)9-8-19-4-3-5-23(19)20-10-12-22(25)13-11-20/h6-7,10-13,15-16,27H,2-5,8-9,14H2,1H3.
What are the key properties of 4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol?
4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol has a molecular weight of 368.47 g/mol, XLogP of 6.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[2-[2-(4-fluorophenyl)cyclopenten-1-yl]ethyl]phenyl]-3-methylbut-1-en-2-ol is sourced from PubChem (CID 139480711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).