1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene

C24H29F — CID 142354572

IUPAC1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene
SMILESC=C(CCc1ccccc1)C(C)Cc1ccc(C2CCCC2)c(F)c1
InChIInChI=1S/C24H29F/c1-18(12-13-20-8-4-3-5-9-20)19(2)16-21-14-15-23(24(25)17-21)22-10-6-7-11-22/h3-5,8-9,14-15,17,19,22H,1,6-7,10-13,16H2,2H3
InChIKeySLMBWQZLVHGUII-UHFFFAOYSA-N
MW336.49 g/mol
LogP6.85
Rot. Bonds7

About 1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene

1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene (PubChem CID 142354572) has the molecular formula C24H29F and a molecular weight of 336.49 g/mol. Its IUPAC name is 1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene.

Molecular Properties

Compound Name1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene
PubChem CID142354572
Molecular FormulaC24H29F
Molecular Weight336.49 g/mol
Exact Mass336.23
IUPAC Name1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene
SMILESC=C(CCc1ccccc1)C(C)Cc1ccc(C2CCCC2)c(F)c1
InChIInChI=1S/C24H29F/c1-18(12-13-20-8-4-3-5-9-20)19(2)16-21-14-15-23(24(25)17-21)22-10-6-7-11-22/h3-5,8-9,14-15,17,19,22H,1,6-7,10-13,16H2,2H3
InChIKeySLMBWQZLVHGUII-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.49
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyclohexyl-3-fluorophenyl)propan-1-ol
CID 117345509
N-[(4-cyclohexyl-3-fluorophenyl)methyl]hydroxylamine
CID 117320222
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
(4-cyclopropyl-3-fluorophenyl)methanol;ethane
CID 144930453
3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid
CID 175256036
(2S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid
CID 122703374
[(2S)-2-methyl-3-methylidenepentyl]benzene
CID 173484600
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
CID 117442816
1-cyclopentyl-2-fluorobenzene
CID 53415938
4-chloro-1-cyclopentyl-2-fluorobenzene
CID 66685145
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol
CID 141264792

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene?
The IUPAC name of 1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene (CID 142354572) is 1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene.
What is the SMILES notation for 1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene?
The canonical SMILES for 1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene is C=C(CCc1ccccc1)C(C)Cc1ccc(C2CCCC2)c(F)c1.
What is the InChIKey of 1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene?
The InChIKey is SLMBWQZLVHGUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F/c1-18(12-13-20-8-4-3-5-9-20)19(2)16-21-14-15-23(24(25)17-21)22-10-6-7-11-22/h3-5,8-9,14-15,17,19,22H,1,6-7,10-13,16H2,2H3.
What are the key properties of 1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene?
1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene has a molecular weight of 336.49 g/mol, XLogP of 6.85, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene is sourced from PubChem (CID 142354572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).