2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene

C17H19ClO — CID 63434490

IUPAC2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
SMILESCOc1ccc(C(Cl)c2cc(C)ccc2C)cc1C
InChIInChI=1S/C17H19ClO/c1-11-5-6-12(2)15(9-11)17(18)14-7-8-16(19-4)13(3)10-14/h5-10,17H,1-4H3
InChIKeyAYDKZAXMJNCXLC-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.95
Rot. Bonds3

About 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene

2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene (PubChem CID 63434490) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
PubChem CID63434490
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
SMILESCOc1ccc(C(Cl)c2cc(C)ccc2C)cc1C
InChIInChI=1S/C17H19ClO/c1-11-5-6-12(2)15(9-11)17(18)14-7-8-16(19-4)13(3)10-14/h5-10,17H,1-4H3
InChIKeyAYDKZAXMJNCXLC-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-4-methylbenzene
CID 81112019
2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 81284211
4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434748
4-[chloro-(3-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434579
1-[chloro-(3,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 61081551
2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 55197746
3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran
CID 61084840
1-bromo-2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-4-methylbenzene
CID 81111868
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
CID 106862844
4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
4-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427655

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene (CID 63434490) is 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene is COc1ccc(C(Cl)c2cc(C)ccc2C)cc1C.
What is the InChIKey of 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene?
The InChIKey is AYDKZAXMJNCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-11-5-6-12(2)15(9-11)17(18)14-7-8-16(19-4)13(3)10-14/h5-10,17H,1-4H3.
What are the key properties of 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene?
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene has a molecular weight of 274.79 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene is sourced from PubChem (CID 63434490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).