1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene

C18H21ClO2 — CID 63435129

IUPAC1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene
SMILESCOc1cc(C)c(C(Cl)Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H21ClO2/c1-12-5-7-14(8-6-12)10-16(19)15-11-18(21-4)17(20-3)9-13(15)2/h5-9,11,16H,10H2,1-4H3
InChIKeyHKPKXAAHDMGFJO-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.84
Rot. Bonds5

About 1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene

1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene (PubChem CID 63435129) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene
PubChem CID63435129
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene
SMILESCOc1cc(C)c(C(Cl)Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H21ClO2/c1-12-5-7-14(8-6-12)10-16(19)15-11-18(21-4)17(20-3)9-13(15)2/h5-9,11,16H,10H2,1-4H3
InChIKeyHKPKXAAHDMGFJO-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432776
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-1-methylbenzene
CID 63049684
4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284003
1-(2-fluoro-4,5-dimethoxyphenyl)-2-(4-methylphenyl)ethanol
CID 62865520
1-[bromo-(4-methylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443811
1-(1-chlorooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63435046
4-bromo-1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methylbenzene
CID 63519198
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 55149546
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868
1-bromo-4-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzene
CID 105057370
1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene
CID 63432395
1-(1-chloro-3,5,5-trimethylhexyl)-4,5-dimethoxy-2-methylbenzene
CID 63435087

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene?
The IUPAC name of 1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene (CID 63435129) is 1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene?
The canonical SMILES for 1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene is COc1cc(C)c(C(Cl)Cc2ccc(C)cc2)cc1OC.
What is the InChIKey of 1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene?
The InChIKey is HKPKXAAHDMGFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-12-5-7-14(8-6-12)10-16(19)15-11-18(21-4)17(20-3)9-13(15)2/h5-9,11,16H,10H2,1-4H3.
What are the key properties of 1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene?
1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene has a molecular weight of 304.82 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene is sourced from PubChem (CID 63435129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).