(E)-3-phenylmethoxyprop-2-enoyl chloride

C10H9ClO2 — CID 638415

IUPAC(E)-3-phenylmethoxyprop-2-enoyl chloride
SMILESO=C(Cl)/C=C/OCc1ccccc1
InChIInChI=1S/C10H9ClO2/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+
InChIKeySEAOGZNQISMZAS-VOTSOKGWSA-N
MW196.63 g/mol
LogP2.48
Rot. Bonds4

About (E)-3-phenylmethoxyprop-2-enoyl chloride

(E)-3-phenylmethoxyprop-2-enoyl chloride (PubChem CID 638415) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is (E)-3-phenylmethoxyprop-2-enoyl chloride.

Molecular Properties

Compound Name(E)-3-phenylmethoxyprop-2-enoyl chloride
PubChem CID638415
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name(E)-3-phenylmethoxyprop-2-enoyl chloride
SMILESO=C(Cl)/C=C/OCc1ccccc1
InChIInChI=1S/C10H9ClO2/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+
InChIKeySEAOGZNQISMZAS-VOTSOKGWSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
(E)-1,1,1-trifluoro-4-phenylmethoxybut-3-en-2-one
CID 11053414
4,5-dihydroxy-1-phenylmethoxypent-1-en-3-one
CID 141190151
(E)-1-phenylmethoxyoct-1-en-3-one
CID 70102964
(Z)-4-phenylbut-2-enoyl chloride
CID 176872561
2-dichlorophosphorylethenoxymethylbenzene
CID 71442996
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
benzyl carbonochloridate
CID 10387
(2E)-2-phenylmethoxyiminoacetyl chloride
CID 135240017
3-phenylmethoxyprop-2-enylsilane
CID 173015897
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
benzyl 2-chloro-2-oxoacetate
CID 11019858

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylmethoxyprop-2-enoyl chloride?
The IUPAC name of (E)-3-phenylmethoxyprop-2-enoyl chloride (CID 638415) is (E)-3-phenylmethoxyprop-2-enoyl chloride.
What is the SMILES notation for (E)-3-phenylmethoxyprop-2-enoyl chloride?
The canonical SMILES for (E)-3-phenylmethoxyprop-2-enoyl chloride is O=C(Cl)/C=C/OCc1ccccc1.
What is the InChIKey of (E)-3-phenylmethoxyprop-2-enoyl chloride?
The InChIKey is SEAOGZNQISMZAS-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9ClO2/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+.
What are the key properties of (E)-3-phenylmethoxyprop-2-enoyl chloride?
(E)-3-phenylmethoxyprop-2-enoyl chloride has a molecular weight of 196.63 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylmethoxyprop-2-enoyl chloride is sourced from PubChem (CID 638415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).