2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene

C18H21ClO2 — CID 63429668

IUPAC2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCOc1ccc(OC)c(C(Cl)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21ClO2/c1-11-8-12(2)17(13(3)9-11)18(19)15-10-14(20-4)6-7-16(15)21-5/h6-10,18H,1-5H3
InChIKeyIRLBSRQHOUCUCG-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.96
Rot. Bonds4

About 2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene

2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 63429668) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID63429668
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCOc1ccc(OC)c(C(Cl)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21ClO2/c1-11-8-12(2)17(13(3)9-11)18(19)15-10-14(20-4)6-7-16(15)21-5/h6-10,18H,1-5H3
InChIKeyIRLBSRQHOUCUCG-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.96
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

2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879793
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 61084322
2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene
CID 63429406
2-[chloro-(4-fluorophenyl)methyl]-1,4-dimethoxybenzene
CID 61085947
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
3-bromo-2-[chloro-(2,5-dimethoxyphenyl)methyl]-5-methylthiophene
CID 65278453
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
2-[chloro-(2,3-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 63431805
2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
CID 63429238

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene (CID 63429668) is 2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene is COc1ccc(OC)c(C(Cl)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is IRLBSRQHOUCUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-11-8-12(2)17(13(3)9-11)18(19)15-10-14(20-4)6-7-16(15)21-5/h6-10,18H,1-5H3.
What are the key properties of 2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene?
2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 304.82 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 63429668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).