4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene

C12H17ClO — CID 91716374

IUPAC4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
SMILESCc1cc(Cl)ccc1COCC(C)C
InChIInChI=1S/C12H17ClO/c1-9(2)7-14-8-11-4-5-12(13)6-10(11)3/h4-6,9H,7-8H2,1-3H3
InChIKeyNYCOYLXMZJWCMY-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.82
Rot. Bonds4

About 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene

4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene (PubChem CID 91716374) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene.

Molecular Properties

Compound Name4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
PubChem CID91716374
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
SMILESCc1cc(Cl)ccc1COCC(C)C
InChIInChI=1S/C12H17ClO/c1-9(2)7-14-8-11-4-5-12(13)6-10(11)3/h4-6,9H,7-8H2,1-3H3
InChIKeyNYCOYLXMZJWCMY-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-(2-methylpropoxymethyl)-2-nitrobenzene
CID 91693582
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
2,4-dichloro-1-(2-methylbutoxymethyl)benzene
CID 91723382
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
(2R)-1-[(2,4-dimethylphenyl)methoxy]propan-2-amine
CID 96656753
4-chloro-1-(iodomethyl)-2-methylbenzene
CID 91883696
N-[(4-chloro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 104854261
2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene
CID 143164368
[2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane
CID 151043884
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
N-[(4-chloro-2-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 104854106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene?
The IUPAC name of 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene (CID 91716374) is 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene.
What is the SMILES notation for 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene?
The canonical SMILES for 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene is Cc1cc(Cl)ccc1COCC(C)C.
What is the InChIKey of 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene?
The InChIKey is NYCOYLXMZJWCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-9(2)7-14-8-11-4-5-12(13)6-10(11)3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene?
4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene has a molecular weight of 212.72 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene is sourced from PubChem (CID 91716374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).