1-chloro-3-methyl-5-phenylbenzene;ethane

C15H17Cl — CID 143782366

IUPAC1-chloro-3-methyl-5-phenylbenzene;ethane
SMILESCC.Cc1cc(Cl)cc(-c2ccccc2)c1
InChIInChI=1S/C13H11Cl.C2H6/c1-10-7-12(9-13(14)8-10)11-5-3-2-4-6-11;1-2/h2-9H,1H3;1-2H3
InChIKeyYCCVPBWVCVHACH-UHFFFAOYSA-N
MW232.75 g/mol
LogP5.34
Rot. Bonds1

About 1-chloro-3-methyl-5-phenylbenzene;ethane

1-chloro-3-methyl-5-phenylbenzene;ethane (PubChem CID 143782366) has the molecular formula C15H17Cl and a molecular weight of 232.75 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-phenylbenzene;ethane.

Molecular Properties

Compound Name1-chloro-3-methyl-5-phenylbenzene;ethane
PubChem CID143782366
Molecular FormulaC15H17Cl
Molecular Weight232.75 g/mol
Exact Mass232.10
IUPAC Name1-chloro-3-methyl-5-phenylbenzene;ethane
SMILESCC.Cc1cc(Cl)cc(-c2ccccc2)c1
InChIInChI=1S/C13H11Cl.C2H6/c1-10-7-12(9-13(14)8-10)11-5-3-2-4-6-11;1-2/h2-9H,1H3;1-2H3
InChIKeyYCCVPBWVCVHACH-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.75
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
1,3-dichloro-5-methylbenzene;toluene
CID 143933195
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene
CID 142960014
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
ethane;1,3,5-triphenylbenzene
CID 142123051
ethane;1-methyl-3-phenylbenzene
CID 142040878
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
3-methyl-5-phenylbenzenethiol
CID 154950467
1-chloro-3,5-dimethylbenzene;phenol
CID 158089638

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-phenylbenzene;ethane?
The IUPAC name of 1-chloro-3-methyl-5-phenylbenzene;ethane (CID 143782366) is 1-chloro-3-methyl-5-phenylbenzene;ethane.
What is the SMILES notation for 1-chloro-3-methyl-5-phenylbenzene;ethane?
The canonical SMILES for 1-chloro-3-methyl-5-phenylbenzene;ethane is CC.Cc1cc(Cl)cc(-c2ccccc2)c1.
What is the InChIKey of 1-chloro-3-methyl-5-phenylbenzene;ethane?
The InChIKey is YCCVPBWVCVHACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl.C2H6/c1-10-7-12(9-13(14)8-10)11-5-3-2-4-6-11;1-2/h2-9H,1H3;1-2H3.
What are the key properties of 1-chloro-3-methyl-5-phenylbenzene;ethane?
1-chloro-3-methyl-5-phenylbenzene;ethane has a molecular weight of 232.75 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-5-phenylbenzene;ethane is sourced from PubChem (CID 143782366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).