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

C16H17ClO — CID 63430237

IUPAC1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Cl)c2cccc(C)c2)c(C)c1
InChIInChI=1S/C16H17ClO/c1-11-5-4-6-13(9-11)16(17)15-8-7-14(18-3)10-12(15)2/h4-10,16H,1-3H3
InChIKeyUJRMFRZTYMTGPK-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.64
Rot. Bonds3

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

1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene (PubChem CID 63430237) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
PubChem CID63430237
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Cl)c2cccc(C)c2)c(C)c1
InChIInChI=1S/C16H17ClO/c1-11-5-4-6-13(9-11)16(17)15-8-7-14(18-3)10-12(15)2/h4-10,16H,1-3H3
InChIKeyUJRMFRZTYMTGPK-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

1-[chloro-(3-propan-2-yloxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63430154
1-[bromo-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438702
1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 61084322
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-1,2,3-trifluorobenzene
CID 63186404
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene
CID 63430104
2-chloro-1-[chloro-(3-chlorophenyl)methyl]-4-methoxybenzene
CID 63434425
1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 63432995
4-[chloro-(3-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434579
1-[chloro-(3,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 61081551
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
1-[bromo-(3-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 63438319

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene (CID 63430237) is 1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene is COc1ccc(C(Cl)c2cccc(C)c2)c(C)c1.
What is the InChIKey of 1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene?
The InChIKey is UJRMFRZTYMTGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-11-5-4-6-13(9-11)16(17)15-8-7-14(18-3)10-12(15)2/h4-10,16H,1-3H3.
What are the key properties of 1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene?
1-[chloro-(3-methylphenyl)methyl]-4-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 1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 63430237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).