2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene

C16H17ClO — CID 55197746

IUPAC2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
SMILESCOc1ccccc1C(Cl)c1cc(C)ccc1C
InChIInChI=1S/C16H17ClO/c1-11-8-9-12(2)14(10-11)16(17)13-6-4-5-7-15(13)18-3/h4-10,16H,1-3H3
InChIKeyGNTMSAONRGBTDC-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.64
Rot. Bonds3

About 2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene

2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene (PubChem CID 55197746) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
PubChem CID55197746
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
SMILESCOc1ccccc1C(Cl)c1cc(C)ccc1C
InChIInChI=1S/C16H17ClO/c1-11-8-9-12(2)14(10-11)16(17)13-6-4-5-7-15(13)18-3/h4-10,16H,1-3H3
InChIKeyGNTMSAONRGBTDC-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
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-methoxy-4-methylbenzene
CID 79217079
3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63433738
2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 81284211
1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 55197963
1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
CID 61084783
1-[chloro-(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61084472
1-bromo-5-[(2-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65432019
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
2-[chloro-(2-ethoxy-5-methylphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63444048
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879793

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene (CID 55197746) is 2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene is COc1ccccc1C(Cl)c1cc(C)ccc1C.
What is the InChIKey of 2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene?
The InChIKey is GNTMSAONRGBTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-11-8-9-12(2)14(10-11)16(17)13-6-4-5-7-15(13)18-3/h4-10,16H,1-3H3.
What are the key properties of 2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene?
2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene 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 2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene is sourced from PubChem (CID 55197746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).