(Z)-2-methyl-3-phenylprop-2-enoyl chloride

C10H9ClO — CID 5355069

IUPAC(Z)-2-methyl-3-phenylprop-2-enoyl chloride
SMILESC/C(=C/c1ccccc1)C(=O)Cl
InChIInChI=1S/C10H9ClO/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7-
InChIKeyXHIRBFXXIZZLNG-FPLPWBNLSA-N
MW180.63 g/mol
LogP2.86
Rot. Bonds2

About (Z)-2-methyl-3-phenylprop-2-enoyl chloride

(Z)-2-methyl-3-phenylprop-2-enoyl chloride (PubChem CID 5355069) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is (Z)-2-methyl-3-phenylprop-2-enoyl chloride.

Molecular Properties

Compound Name(Z)-2-methyl-3-phenylprop-2-enoyl chloride
PubChem CID5355069
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name(Z)-2-methyl-3-phenylprop-2-enoyl chloride
SMILESC/C(=C/c1ccccc1)C(=O)Cl
InChIInChI=1S/C10H9ClO/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7-
InChIKeyXHIRBFXXIZZLNG-FPLPWBNLSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
zinc bis((E)-2-methyl-3-phenylprop-2-enoate)
CID 19869367
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
CID 6372631
(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one
CID 6394466
(Z)-2-methyl-N-oxo-3-phenylprop-2-enamide
CID 134576531
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
[(Z)-1-chloro-2-phenylethenyl] acetate
CID 101229126
(1E,4E)-2-methyl-1-phenylhexa-1,4-dien-3-one
CID 11355910
acetyl chloride;benzaldehyde
CID 88812659
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
2-methyl-3-phenylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 67448795

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-phenylprop-2-enoyl chloride?
The IUPAC name of (Z)-2-methyl-3-phenylprop-2-enoyl chloride (CID 5355069) is (Z)-2-methyl-3-phenylprop-2-enoyl chloride.
What is the SMILES notation for (Z)-2-methyl-3-phenylprop-2-enoyl chloride?
The canonical SMILES for (Z)-2-methyl-3-phenylprop-2-enoyl chloride is C/C(=C/c1ccccc1)C(=O)Cl.
What is the InChIKey of (Z)-2-methyl-3-phenylprop-2-enoyl chloride?
The InChIKey is XHIRBFXXIZZLNG-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H9ClO/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7-.
What are the key properties of (Z)-2-methyl-3-phenylprop-2-enoyl chloride?
(Z)-2-methyl-3-phenylprop-2-enoyl chloride has a molecular weight of 180.63 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-phenylprop-2-enoyl chloride is sourced from PubChem (CID 5355069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).