ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate

C14H18Cl2O2 — CID 46220930

IUPACethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2O2/c1-4-18-14(17)11(7-9(2)3)10-5-6-12(15)13(16)8-10/h5-6,8-9,11H,4,7H2,1-3H3
InChIKeyHMVLEKMWDGXELE-UHFFFAOYSA-N
MW289.20 g/mol
LogP4.69
Rot. Bonds5

About ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate

ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate (PubChem CID 46220930) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
PubChem CID46220930
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Nameethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2O2/c1-4-18-14(17)11(7-9(2)3)10-5-6-12(15)13(16)8-10/h5-6,8-9,11H,4,7H2,1-3H3
InChIKeyHMVLEKMWDGXELE-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
CID 54908339
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
ethyl 3-[1-(3,4-dichlorophenyl)ethylamino]propanoate
CID 60647930
ethyl 2,3-dicyano-3-(3,4-dichlorophenyl)propanoate
CID 131847806
1,2-dichloro-4-(2-methylheptan-4-yl)benzene
CID 67949273
2-(3,4-dichlorophenyl)hexanoic acid
CID 18626644
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921
ethyl 3-[benzyl-(3-ethoxy-3-oxopropyl)amino]-2-(3,4-dichlorophenyl)propanoate
CID 68870481
(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one
CID 155260604
ethyl 2-(4-bromo-3-chlorophenyl)propanoate
CID 105426704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate?
The IUPAC name of ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate (CID 46220930) is ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate?
The canonical SMILES for ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate is CCOC(=O)C(CC(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate?
The InChIKey is HMVLEKMWDGXELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-4-18-14(17)11(7-9(2)3)10-5-6-12(15)13(16)8-10/h5-6,8-9,11H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate?
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate has a molecular weight of 289.20 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate is sourced from PubChem (CID 46220930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).