1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene

C16H16Cl2O2 — CID 63432995

IUPAC1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Cl)c2cccc(C)c2)cc1OC
InChIInChI=1S/C16H16Cl2O2/c1-10-5-4-6-11(7-10)16(18)12-8-14(19-2)15(20-3)9-13(12)17/h4-9,16H,1-3H3
InChIKeyPDCGNAQCAUXTOH-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.99
Rot. Bonds4

About 1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene

1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene (PubChem CID 63432995) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene
PubChem CID63432995
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Cl)c2cccc(C)c2)cc1OC
InChIInChI=1S/C16H16Cl2O2/c1-10-5-4-6-11(7-10)16(18)12-8-14(19-2)15(20-3)9-13(12)17/h4-9,16H,1-3H3
InChIKeyPDCGNAQCAUXTOH-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.99
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-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
4-[chloro-(3-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434579
1-chloro-2-[chloro-(2-fluoro-3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 81481475
1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63430237
2-chloro-4,5-dimethoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43784482
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980
2-[chloro-(3-iodophenyl)methyl]-1-methoxy-4-methylbenzene
CID 63435254
1-[chloro(phenyl)methyl]-2,4,5-trimethoxybenzene
CID 61083307
1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63436326
1-bromo-2-[(3-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432172
4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene
CID 63439421
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43486373

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene (CID 63432995) is 1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene is COc1cc(Cl)c(C(Cl)c2cccc(C)c2)cc1OC.
What is the InChIKey of 1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene?
The InChIKey is PDCGNAQCAUXTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-10-5-4-6-11(7-10)16(18)12-8-14(19-2)15(20-3)9-13(12)17/h4-9,16H,1-3H3.
What are the key properties of 1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene?
1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene has a molecular weight of 311.21 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 63432995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).