4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene

C17H19ClO2 — CID 63016812

IUPAC4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(CC(Cl)c2cccc(C)c2)cc1OC
InChIInChI=1S/C17H19ClO2/c1-12-5-4-6-14(9-12)15(18)10-13-7-8-16(19-2)17(11-13)20-3/h4-9,11,15H,10H2,1-3H3
InChIKeySQIMBHCJAKQITH-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.53
Rot. Bonds5

About 4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene

4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene (PubChem CID 63016812) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene
PubChem CID63016812
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(CC(Cl)c2cccc(C)c2)cc1OC
InChIInChI=1S/C17H19ClO2/c1-12-5-4-6-14(9-12)15(18)10-13-7-8-16(19-2)17(11-13)20-3/h4-9,11,15H,10H2,1-3H3
InChIKeySQIMBHCJAKQITH-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.53
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

2-(3,4-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 60864252
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-methoxybenzene
CID 55200198
4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 63428713
4-[1-chloro-2-(3-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284301
2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol
CID 67673110
2-chloro-4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 82876049
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
CID 70005638
1-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]-3-methylbenzene
CID 63429653
1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
CID 90949774
3-(3-bromo-4-methoxyphenyl)-2-(3-methylphenyl)propanoic acid
CID 79431801
4-[chloro-(3-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434579
3-chloro-4-(3,4-dimethoxyphenyl)butan-2-one
CID 82185003

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene (CID 63016812) is 4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene is COc1ccc(CC(Cl)c2cccc(C)c2)cc1OC.
What is the InChIKey of 4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene?
The InChIKey is SQIMBHCJAKQITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-12-5-4-6-14(9-12)15(18)10-13-7-8-16(19-2)17(11-13)20-3/h4-9,11,15H,10H2,1-3H3.
What are the key properties of 4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene?
4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene has a molecular weight of 290.79 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 63016812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).