5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene

C18H21ClO — CID 63535326

IUPAC5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1ccc(C)c(COc2c(C)cc(CCl)cc2C)c1
InChIInChI=1S/C18H21ClO/c1-12-5-6-13(2)17(7-12)11-20-18-14(3)8-16(10-19)9-15(18)4/h5-9H,10-11H2,1-4H3
InChIKeyITTCEEYZEPYTGI-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.24
Rot. Bonds4

About 5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene

5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene (PubChem CID 63535326) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene
PubChem CID63535326
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1ccc(C)c(COc2c(C)cc(CCl)cc2C)c1
InChIInChI=1S/C18H21ClO/c1-12-5-6-13(2)17(7-12)11-20-18-14(3)8-16(10-19)9-15(18)4/h5-9H,10-11H2,1-4H3
InChIKeyITTCEEYZEPYTGI-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.24
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

4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65470169
2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-dimethylbenzene
CID 103047032
1,3-dibromo-5-(chloromethyl)-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 107745450
[4-[(5-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105372055
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-fluorobenzonitrile
CID 107906212
1-(bromomethyl)-3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzene
CID 112613816
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene
CID 63534722
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline
CID 106861452

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene?
The IUPAC name of 5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene (CID 63535326) is 5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene?
The canonical SMILES for 5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene is Cc1ccc(C)c(COc2c(C)cc(CCl)cc2C)c1.
What is the InChIKey of 5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene?
The InChIKey is ITTCEEYZEPYTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-12-5-6-13(2)17(7-12)11-20-18-14(3)8-16(10-19)9-15(18)4/h5-9H,10-11H2,1-4H3.
What are the key properties of 5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene?
5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene has a molecular weight of 288.82 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 63535326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).