(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid

C9H6Cl2O2 — CID 2412390

IUPAC(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C9H6Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/b5-4-
InChIKeyRCEWIEGWGDHVNK-PLNGDYQASA-N
MW217.05 g/mol
LogP3.09
Rot. Bonds2

About (Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid

(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid (PubChem CID 2412390) has the molecular formula C9H6Cl2O2 and a molecular weight of 217.05 g/mol. Its IUPAC name is (Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
PubChem CID2412390
Molecular FormulaC9H6Cl2O2
Molecular Weight217.05 g/mol
Exact Mass215.97
IUPAC Name(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C9H6Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/b5-4-
InChIKeyRCEWIEGWGDHVNK-PLNGDYQASA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.05
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
3-(3-chloro-2-formylphenyl)prop-2-enoic acid
CID 169460426
(E)-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]but-2-enoic acid
CID 112746556
(E)-3-(8-chloronaphthalen-1-yl)prop-2-enoic acid
CID 102056789
(E)-3-[2-chloro-3-(2,4,5-trichlorophenyl)phenyl]prop-2-enoic acid
CID 118803820
(Z)-3-(2,3-dichlorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305734
(E)-3-(3-chloro-2-nitrophenyl)prop-2-enoic acid
CID 22023214
1,2-dichloro-3-ethenylbenzene;prop-2-enoic acid
CID 174953913
(2R)-2-[3-(2,3-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972941
3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 3472097
1,7-bis(2,3-dichlorophenyl)hepta-1,6-dien-4-one
CID 141017477

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid (CID 2412390) is (Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid is O=C(O)/C=C\c1cccc(Cl)c1Cl.
What is the InChIKey of (Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid?
The InChIKey is RCEWIEGWGDHVNK-PLNGDYQASA-N. The full InChI is InChI=1S/C9H6Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/b5-4-.
What are the key properties of (Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid?
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid has a molecular weight of 217.05 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid is sourced from PubChem (CID 2412390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).