4-chloro-1-(3-ethylphenyl)-2-methoxybenzene

C15H15ClO — CID 122487988

IUPAC4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
SMILESCCc1cccc(-c2ccc(Cl)cc2OC)c1
InChIInChI=1S/C15H15ClO/c1-3-11-5-4-6-12(9-11)14-8-7-13(16)10-15(14)17-2/h4-10H,3H2,1-2H3
InChIKeyPKQCUFFZHMNRAV-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.58
Rot. Bonds3

About 4-chloro-1-(3-ethylphenyl)-2-methoxybenzene

4-chloro-1-(3-ethylphenyl)-2-methoxybenzene (PubChem CID 122487988) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-1-(3-ethylphenyl)-2-methoxybenzene.

Molecular Properties

Compound Name4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
PubChem CID122487988
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
SMILESCCc1cccc(-c2ccc(Cl)cc2OC)c1
InChIInChI=1S/C15H15ClO/c1-3-11-5-4-6-12(9-11)14-8-7-13(16)10-15(14)17-2/h4-10H,3H2,1-2H3
InChIKeyPKQCUFFZHMNRAV-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
4-(3-ethylphenyl)-1,2-dimethoxybenzene
CID 67818138
(4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine
CID 105018869
1-(3-chlorophenyl)-2,4-diethylbenzene
CID 91574528
N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
CID 61033468
4-(4-chloro-2-methoxyphenyl)pyridin-1-ium
CID 143833713
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
CID 61034037
2-(3-chlorophenyl)-4-ethyl-1-methylbenzene
CID 90994184
4-(3-ethylphenyl)-1-ethynyl-2-methoxybenzene
CID 146037648
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-ethylphenyl)-2-methoxybenzene?
The IUPAC name of 4-chloro-1-(3-ethylphenyl)-2-methoxybenzene (CID 122487988) is 4-chloro-1-(3-ethylphenyl)-2-methoxybenzene.
What is the SMILES notation for 4-chloro-1-(3-ethylphenyl)-2-methoxybenzene?
The canonical SMILES for 4-chloro-1-(3-ethylphenyl)-2-methoxybenzene is CCc1cccc(-c2ccc(Cl)cc2OC)c1.
What is the InChIKey of 4-chloro-1-(3-ethylphenyl)-2-methoxybenzene?
The InChIKey is PKQCUFFZHMNRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-3-11-5-4-6-12(9-11)14-8-7-13(16)10-15(14)17-2/h4-10H,3H2,1-2H3.
What are the key properties of 4-chloro-1-(3-ethylphenyl)-2-methoxybenzene?
4-chloro-1-(3-ethylphenyl)-2-methoxybenzene has a molecular weight of 246.74 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-ethylphenyl)-2-methoxybenzene is sourced from PubChem (CID 122487988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).