2-(3-chlorophenyl)-4-ethyl-1-methylbenzene

C15H15Cl — CID 90994184

IUPAC2-(3-chlorophenyl)-4-ethyl-1-methylbenzene
SMILESCCc1ccc(C)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H15Cl/c1-3-12-8-7-11(2)15(9-12)13-5-4-6-14(16)10-13/h4-10H,3H2,1-2H3
InChIKeyNEYNOPCTJYUCHG-UHFFFAOYSA-N
MW230.74 g/mol
LogP4.88
Rot. Bonds2

About 2-(3-chlorophenyl)-4-ethyl-1-methylbenzene

2-(3-chlorophenyl)-4-ethyl-1-methylbenzene (PubChem CID 90994184) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-ethyl-1-methylbenzene.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-ethyl-1-methylbenzene
PubChem CID90994184
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name2-(3-chlorophenyl)-4-ethyl-1-methylbenzene
SMILESCCc1ccc(C)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H15Cl/c1-3-12-8-7-11(2)15(9-12)13-5-4-6-14(16)10-13/h4-10H,3H2,1-2H3
InChIKeyNEYNOPCTJYUCHG-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-1-methyl-2-(3-methylphenyl)benzene
CID 91311090
1-(3-chlorophenyl)-2,4-diethylbenzene
CID 91574528
2-ethyl-4-methylazulene
CID 154376639
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
1-bromo-4-ethyl-2-(3-ethylphenyl)benzene
CID 142855411
4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
CID 122487988
1-chloro-4-[(3-ethylphenyl)methyl]benzene
CID 142052916
5-(3-chlorophenyl)-2-fluoro-4-methylaniline
CID 168928680
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-ethyl-1-methylbenzene?
The IUPAC name of 2-(3-chlorophenyl)-4-ethyl-1-methylbenzene (CID 90994184) is 2-(3-chlorophenyl)-4-ethyl-1-methylbenzene.
What is the SMILES notation for 2-(3-chlorophenyl)-4-ethyl-1-methylbenzene?
The canonical SMILES for 2-(3-chlorophenyl)-4-ethyl-1-methylbenzene is CCc1ccc(C)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-ethyl-1-methylbenzene?
The InChIKey is NEYNOPCTJYUCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl/c1-3-12-8-7-11(2)15(9-12)13-5-4-6-14(16)10-13/h4-10H,3H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-ethyl-1-methylbenzene?
2-(3-chlorophenyl)-4-ethyl-1-methylbenzene has a molecular weight of 230.74 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-ethyl-1-methylbenzene is sourced from PubChem (CID 90994184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).