4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene

C16H17ClO — CID 63434748

IUPAC4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Cl)c2ccccc2C)cc1C
InChIInChI=1S/C16H17ClO/c1-11-6-4-5-7-14(11)16(17)13-8-9-15(18-3)12(2)10-13/h4-10,16H,1-3H3
InChIKeySAAWWHPHQBHINL-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.64
Rot. Bonds3

About 4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene

4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene (PubChem CID 63434748) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene.

Molecular Properties

Compound Name4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
PubChem CID63434748
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Cl)c2ccccc2C)cc1C
InChIInChI=1S/C16H17ClO/c1-11-6-4-5-7-14(11)16(17)13-8-9-15(18-3)12(2)10-13/h4-10,16H,1-3H3
InChIKeySAAWWHPHQBHINL-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.64
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

2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
CID 63434490
3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran
CID 61084840
4-[chloro-(3-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434579
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
4-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427655
4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
1-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-4-methylbenzene
CID 81112019
4-(1-chloroethyl)-1-methoxy-2-methylbenzene
CID 61084240
2-bromo-4-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-methoxybenzene
CID 63434744
4-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434154
1-[bromo-(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbenzene
CID 63443103
1-[chloro-(3,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 61081551

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene?
The IUPAC name of 4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene (CID 63434748) is 4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene.
What is the SMILES notation for 4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene?
The canonical SMILES for 4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene is COc1ccc(C(Cl)c2ccccc2C)cc1C.
What is the InChIKey of 4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene?
The InChIKey is SAAWWHPHQBHINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-11-6-4-5-7-14(11)16(17)13-8-9-15(18-3)12(2)10-13/h4-10,16H,1-3H3.
What are the key properties of 4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene?
4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene has a molecular weight of 260.76 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene is sourced from PubChem (CID 63434748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).