1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one

C14H19ClO2 — CID 116708752

IUPAC1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one
SMILESCCOC(C(=O)Cc1ccccc1Cl)C(C)C
InChIInChI=1S/C14H19ClO2/c1-4-17-14(10(2)3)13(16)9-11-7-5-6-8-12(11)15/h5-8,10,14H,4,9H2,1-3H3
InChIKeyRTUNVOIRWLGSMX-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.51
Rot. Bonds6

About 1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one

1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one (PubChem CID 116708752) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one
PubChem CID116708752
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one
SMILESCCOC(C(=O)Cc1ccccc1Cl)C(C)C
InChIInChI=1S/C14H19ClO2/c1-4-17-14(10(2)3)13(16)9-11-7-5-6-8-12(11)15/h5-8,10,14H,4,9H2,1-3H3
InChIKeyRTUNVOIRWLGSMX-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-ethoxy-4-methylpentan-2-one
CID 116708851
3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one
CID 116708620
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-one
CID 107308023
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
3-[[2-(2-chlorophenyl)acetyl]-ethylamino]butanoic acid
CID 55123907
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
2-[(2-chlorophenyl)methoxy]propanoic acid
CID 24699510
2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95625333
(3R,4S,5R,6R)-1-(2-chlorophenyl)-3,4,5,6-tetrahydroxyoctan-2-one
CID 159278588
1-chloro-2-(2-propan-2-yloxyethyl)benzene
CID 91691644
2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
CID 60828054
1-(2,3-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 107308075

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one (CID 116708752) is 1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one is CCOC(C(=O)Cc1ccccc1Cl)C(C)C.
What is the InChIKey of 1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one?
The InChIKey is RTUNVOIRWLGSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-4-17-14(10(2)3)13(16)9-11-7-5-6-8-12(11)15/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one?
1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one has a molecular weight of 254.76 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one is sourced from PubChem (CID 116708752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).