4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene

C19H19F — CID 134256168

IUPAC4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene
SMILESCc1cc(F)ccc1C1=CCC(c2ccccc2)CC1
InChIInChI=1S/C19H19F/c1-14-13-18(20)11-12-19(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-6,9,11-13,16H,7-8,10H2,1H3
InChIKeyKIZPSCAEMGSRSS-UHFFFAOYSA-N
MW266.36 g/mol
LogP5.49
Rot. Bonds2

About 4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene

4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene (PubChem CID 134256168) has the molecular formula C19H19F and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene
PubChem CID134256168
Molecular FormulaC19H19F
Molecular Weight266.36 g/mol
Exact Mass266.15
IUPAC Name4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene
SMILESCc1cc(F)ccc1C1=CCC(c2ccccc2)CC1
InChIInChI=1S/C19H19F/c1-14-13-18(20)11-12-19(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-6,9,11-13,16H,7-8,10H2,1H3
InChIKeyKIZPSCAEMGSRSS-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]-2-methyl-6-phenylphenol
CID 141265705
1-(4-fluoro-2-methylphenyl)-4-phenylcyclohexan-1-ol
CID 63409294
3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 22508120
2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene
CID 170287642
2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene
CID 122234023
4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]-2-methylphenol
CID 22508069
2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine
CID 123990449
N-methyl-4-(2-methylphenyl)cyclohex-3-en-1-amine
CID 144957390
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
3-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 174738982
5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 146633762
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene?
The IUPAC name of 4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene (CID 134256168) is 4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene.
What is the SMILES notation for 4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene?
The canonical SMILES for 4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene is Cc1cc(F)ccc1C1=CCC(c2ccccc2)CC1.
What is the InChIKey of 4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene?
The InChIKey is KIZPSCAEMGSRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F/c1-14-13-18(20)11-12-19(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-6,9,11-13,16H,7-8,10H2,1H3.
What are the key properties of 4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene?
4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene has a molecular weight of 266.36 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene is sourced from PubChem (CID 134256168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).