(4-chloro-2-methylphenyl)methyl acetate

C10H11ClO2 — CID 91715961

IUPAC(4-chloro-2-methylphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(Cl)cc1C
InChIInChI=1S/C10H11ClO2/c1-7-5-10(11)4-3-9(7)6-13-8(2)12/h3-5H,6H2,1-2H3
InChIKeyCPWCILOWXPJJHN-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.71
Rot. Bonds2

About (4-chloro-2-methylphenyl)methyl acetate

(4-chloro-2-methylphenyl)methyl acetate (PubChem CID 91715961) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)methyl acetate.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)methyl acetate
PubChem CID91715961
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(4-chloro-2-methylphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(Cl)cc1C
InChIInChI=1S/C10H11ClO2/c1-7-5-10(11)4-3-9(7)6-13-8(2)12/h3-5H,6H2,1-2H3
InChIKeyCPWCILOWXPJJHN-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-ethynylphenyl)methyl acetate
CID 159281899
3-amino-4-(4-chloro-2-methylphenyl)butan-2-one
CID 83639669
ethane;(2-methylphenyl)methyl acetate
CID 143177732
4-O-[(4-chloro-2-methylphenyl)methyl] 1-O-hexyl benzene-1,4-dicarboxylate
CID 91716173
(3,4-difluoro-2-methylphenyl)methyl acetate
CID 130139606
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
3-(5-chloro-2-methylphenyl)propyl acetate
CID 18984733
(4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate
CID 144534319
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225
4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
CID 91716374

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)methyl acetate?
The IUPAC name of (4-chloro-2-methylphenyl)methyl acetate (CID 91715961) is (4-chloro-2-methylphenyl)methyl acetate.
What is the SMILES notation for (4-chloro-2-methylphenyl)methyl acetate?
The canonical SMILES for (4-chloro-2-methylphenyl)methyl acetate is CC(=O)OCc1ccc(Cl)cc1C.
What is the InChIKey of (4-chloro-2-methylphenyl)methyl acetate?
The InChIKey is CPWCILOWXPJJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7-5-10(11)4-3-9(7)6-13-8(2)12/h3-5H,6H2,1-2H3.
What are the key properties of (4-chloro-2-methylphenyl)methyl acetate?
(4-chloro-2-methylphenyl)methyl acetate has a molecular weight of 198.65 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)methyl acetate is sourced from PubChem (CID 91715961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).