CID 59090945

C10H7ClO — CID 59090945

IUPAC—
SMILES[CH]C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h1-7H/b3-2+
InChIKeyWHGLJWMLVOQWPD-NSCUHMNNSA-N
MW178.62 g/mol
LogP2.63
Rot. Bonds2

About CID 59090945

CID 59090945 (PubChem CID 59090945) has the molecular formula C10H7ClO and a molecular weight of 178.62 g/mol.

Molecular Properties

Compound NameCID 59090945
PubChem CID59090945
Molecular FormulaC10H7ClO
Molecular Weight178.62 g/mol
Exact Mass178.02
IUPAC Name—
SMILES[CH]C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h1-7H/b3-2+
InChIKeyWHGLJWMLVOQWPD-NSCUHMNNSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.63
H-Bond Donors ≤ 50
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-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
(E)-3-(4-chlorophenyl)prop-2-enoyl bromide
CID 19079844
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
zinc bis(3-(4-chlorophenyl)prop-2-enoate)
CID 158446938
(E)-4-(4-chlorophenyl)-1-hydroxybut-3-en-2-one
CID 176797692
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
sodium 4-(4-chlorophenyl)-2-oxobut-3-enoate
CID 130429832
CID 59090938
CID 59090938
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
(E)-1-(4-chlorophenyl)-4-hydroxy-4-methylpent-1-en-3-one
CID 794751
(E)-3-(4-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
CID 806243

Frequently Asked Questions

What is the IUPAC name of CID 59090945?
The IUPAC name of CID 59090945 (CID 59090945) is not available.
What is the SMILES notation for CID 59090945?
The canonical SMILES for CID 59090945 is [CH]C(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of CID 59090945?
The InChIKey is WHGLJWMLVOQWPD-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H7ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h1-7H/b3-2+.
What are the key properties of CID 59090945?
CID 59090945 has a molecular weight of 178.62 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59090945 is sourced from PubChem (CID 59090945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).