acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid

C17H18Cl2O4 — CID 174506866

IUPACacetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid
SMILESCC(=O)O.CCC(=O)O.Clc1cccc(-c2ccccc2)c1Cl
InChIInChI=1S/C12H8Cl2.C3H6O2.C2H4O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2-3(4)5;1-2(3)4/h1-8H;2H2,1H3,(H,4,5);1H3,(H,3,4)
InChIKeyVUCWUYCSCWBPJT-UHFFFAOYSA-N
MW357.23 g/mol
LogP5.23
Rot. Bonds2

About acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid

acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid (PubChem CID 174506866) has the molecular formula C17H18Cl2O4 and a molecular weight of 357.23 g/mol. Its IUPAC name is acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid.

Molecular Properties

Compound Nameacetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid
PubChem CID174506866
Molecular FormulaC17H18Cl2O4
Molecular Weight357.23 g/mol
Exact Mass356.06
IUPAC Nameacetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid
SMILESCC(=O)O.CCC(=O)O.Clc1cccc(-c2ccccc2)c1Cl
InChIInChI=1S/C12H8Cl2.C3H6O2.C2H4O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2-3(4)5;1-2(3)4/h1-8H;2H2,1H3,(H,4,5);1H3,(H,3,4)
InChIKeyVUCWUYCSCWBPJT-UHFFFAOYSA-N
XLogP5.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.23
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride
CID 174904130
CID 172733378
CID 172733378
acetic acid;benzene;1,2-dichloro-3-phenylbenzene;ethenyl acetate
CID 174824248
1,2-dichloro-3-phenylbenzene;prop-2-enyl acetate
CID 175275718
1,2-dichloro-3-phenylbenzene;methyl acetate;oxaldehydoyl 2-oxoacetate
CID 174527584
1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
CID 55198842
4-[4-(2,3-dichlorophenyl)phenyl]-4-oxobutanoic acid
CID 21437985
pentan-3-one;1,2,3-triphenylbenzene
CID 174581900
4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one
CID 82540744
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
4-(2,3-dichlorophenyl)-N-hydroxybenzamide
CID 10192965
(2-chloro-3-phenylphenyl) acetate
CID 54501671

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid?
The IUPAC name of acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid (CID 174506866) is acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid.
What is the SMILES notation for acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid?
The canonical SMILES for acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid is CC(=O)O.CCC(=O)O.Clc1cccc(-c2ccccc2)c1Cl.
What is the InChIKey of acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid?
The InChIKey is VUCWUYCSCWBPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2.C3H6O2.C2H4O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2-3(4)5;1-2(3)4/h1-8H;2H2,1H3,(H,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid?
acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid has a molecular weight of 357.23 g/mol, XLogP of 5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid is sourced from PubChem (CID 174506866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).