(Z)-4-phenylbut-2-enoyl chloride

C10H9ClO — CID 176872561

IUPAC(Z)-4-phenylbut-2-enoyl chloride
SMILESO=C(Cl)/C=C\Cc1ccccc1
InChIInChI=1S/C10H9ClO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8H,7H2/b8-4-
InChIKeySFMJFGPWVLCFEU-YWEYNIOJSA-N
MW180.63 g/mol
LogP2.55
Rot. Bonds3

About (Z)-4-phenylbut-2-enoyl chloride

(Z)-4-phenylbut-2-enoyl chloride (PubChem CID 176872561) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is (Z)-4-phenylbut-2-enoyl chloride.

Molecular Properties

Compound Name(Z)-4-phenylbut-2-enoyl chloride
PubChem CID176872561
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name(Z)-4-phenylbut-2-enoyl chloride
SMILESO=C(Cl)/C=C\Cc1ccccc1
InChIInChI=1S/C10H9ClO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8H,7H2/b8-4-
InChIKeySFMJFGPWVLCFEU-YWEYNIOJSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.55
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

(2E,5E)-1-phenylhepta-2,5-dien-4-one
CID 102247041
2-phenylethyl 4-phenylbut-2-enoate
CID 151426246
(E)-3-phenylmethoxyprop-2-enoyl chloride
CID 638415
4-phenyl-N-propylbut-2-enamide
CID 154634438
N-butyl-4-phenylbut-2-enamide
CID 154634439
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
[(E)-3-phenylprop-1-enyl] acetate
CID 13396779
(E)-4-(4-methoxyphenyl)but-2-enoic acid
CID 67215752
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 57294519

Frequently Asked Questions

What is the IUPAC name of (Z)-4-phenylbut-2-enoyl chloride?
The IUPAC name of (Z)-4-phenylbut-2-enoyl chloride (CID 176872561) is (Z)-4-phenylbut-2-enoyl chloride.
What is the SMILES notation for (Z)-4-phenylbut-2-enoyl chloride?
The canonical SMILES for (Z)-4-phenylbut-2-enoyl chloride is O=C(Cl)/C=C\Cc1ccccc1.
What is the InChIKey of (Z)-4-phenylbut-2-enoyl chloride?
The InChIKey is SFMJFGPWVLCFEU-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H9ClO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8H,7H2/b8-4-.
What are the key properties of (Z)-4-phenylbut-2-enoyl chloride?
(Z)-4-phenylbut-2-enoyl chloride has a molecular weight of 180.63 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-phenylbut-2-enoyl chloride is sourced from PubChem (CID 176872561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).