(5-chloro-2-methylphenyl)methyl formate

C9H9ClO2 — CID 88883039

IUPAC(5-chloro-2-methylphenyl)methyl formate
SMILESCc1ccc(Cl)cc1COC=O
InChIInChI=1S/C9H9ClO2/c1-7-2-3-9(10)4-8(7)5-12-6-11/h2-4,6H,5H2,1H3
InChIKeyDAVRSIGZNCKHLN-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.32
Rot. Bonds3

About (5-chloro-2-methylphenyl)methyl formate

(5-chloro-2-methylphenyl)methyl formate (PubChem CID 88883039) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)methyl formate.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)methyl formate
PubChem CID88883039
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name(5-chloro-2-methylphenyl)methyl formate
SMILESCc1ccc(Cl)cc1COC=O
InChIInChI=1S/C9H9ClO2/c1-7-2-3-9(10)4-8(7)5-12-6-11/h2-4,6H,5H2,1H3
InChIKeyDAVRSIGZNCKHLN-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-methyl-2-(nitrosomethyl)benzene
CID 142051327
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
carbon dioxide;4-chloro-1-ethyl-2-fluorobenzene;(4-chloro-2-fluorophenyl)methyl formate
CID 157101002
[5-(4-chlorophenyl)-2-methylfuran-3-yl]methyl formate
CID 174791269
[6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate
CID 174807844
4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene
CID 20782922
4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257562
(3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate
CID 144993627
(3-chloronaphthalen-2-yl)methyl formate
CID 174885528
4-chloro-2-(3-chloropropyl)-1-methylbenzene
CID 118805729
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate
CID 90369311

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)methyl formate?
The IUPAC name of (5-chloro-2-methylphenyl)methyl formate (CID 88883039) is (5-chloro-2-methylphenyl)methyl formate.
What is the SMILES notation for (5-chloro-2-methylphenyl)methyl formate?
The canonical SMILES for (5-chloro-2-methylphenyl)methyl formate is Cc1ccc(Cl)cc1COC=O.
What is the InChIKey of (5-chloro-2-methylphenyl)methyl formate?
The InChIKey is DAVRSIGZNCKHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-7-2-3-9(10)4-8(7)5-12-6-11/h2-4,6H,5H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)methyl formate?
(5-chloro-2-methylphenyl)methyl formate has a molecular weight of 184.62 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)methyl formate is sourced from PubChem (CID 88883039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).