methyl 2-(3,4-dichlorophenyl)propanoate

C10H10Cl2O2 — CID 11402033

IUPACmethyl 2-(3,4-dichlorophenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-6(10(13)14-2)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3
InChIKeyUSKFFLAJZKWBFD-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.27
Rot. Bonds2

About methyl 2-(3,4-dichlorophenyl)propanoate

methyl 2-(3,4-dichlorophenyl)propanoate (PubChem CID 11402033) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is methyl 2-(3,4-dichlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3,4-dichlorophenyl)propanoate
PubChem CID11402033
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Namemethyl 2-(3,4-dichlorophenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-6(10(13)14-2)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3
InChIKeyUSKFFLAJZKWBFD-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
methyl 2-(3,4-dichlorophenyl)acetate;methyl 2-(3,4-dichlorophenyl)propanoate
CID 160802839
methyl 2-(3-chloro-4-methylsulfanylphenyl)propanoate
CID 70816255
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
methyl (2S)-2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoate
CID 163934815
methyl 2-(3,4-dichlorophenyl)-2-methylpent-4-enoate;methyl 2-(3,4-dichlorophenyl)propanoate
CID 162063253
methyl 2-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]propanoate
CID 57029370
methyl 2-(3,4-dichlorophenyl)-4-oxobutanoate
CID 59856539
methyl 2-(3,4-diphenylphenyl)propanoate
CID 139706154
methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
CID 54908339

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dichlorophenyl)propanoate?
The IUPAC name of methyl 2-(3,4-dichlorophenyl)propanoate (CID 11402033) is methyl 2-(3,4-dichlorophenyl)propanoate.
What is the SMILES notation for methyl 2-(3,4-dichlorophenyl)propanoate?
The canonical SMILES for methyl 2-(3,4-dichlorophenyl)propanoate is COC(=O)C(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-(3,4-dichlorophenyl)propanoate?
The InChIKey is USKFFLAJZKWBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-6(10(13)14-2)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3.
What are the key properties of methyl 2-(3,4-dichlorophenyl)propanoate?
methyl 2-(3,4-dichlorophenyl)propanoate has a molecular weight of 233.09 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dichlorophenyl)propanoate is sourced from PubChem (CID 11402033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).