(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride

C16H12ClFO2 — CID 91685524

IUPAC(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride
SMILESO=C(Cl)/C=C/c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H12ClFO2/c17-16(19)9-6-12-2-1-3-15(10-12)20-11-13-4-7-14(18)8-5-13/h1-10H,11H2/b9-6+
InChIKeyKRECCZJBFAUZQF-RMKNXTFCSA-N
MW290.72 g/mol
LogP4.18
Rot. Bonds5

About (E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride

(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride (PubChem CID 91685524) has the molecular formula C16H12ClFO2 and a molecular weight of 290.72 g/mol. Its IUPAC name is (E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride.

Molecular Properties

Compound Name(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride
PubChem CID91685524
Molecular FormulaC16H12ClFO2
Molecular Weight290.72 g/mol
Exact Mass290.05
IUPAC Name(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride
SMILESO=C(Cl)/C=C/c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H12ClFO2/c17-16(19)9-6-12-2-1-3-15(10-12)20-11-13-4-7-14(18)8-5-13/h1-10H,11H2/b9-6+
InChIKeyKRECCZJBFAUZQF-RMKNXTFCSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42201925
(E)-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91684716
(E)-3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 29018393
(E)-1-(1H-benzimidazol-2-yl)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-one
CID 175678296
methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685549
(E)-3-(3-prop-2-ynoxyphenyl)prop-2-enoyl chloride
CID 118892491
(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 44665646
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369361
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride?
The IUPAC name of (E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride (CID 91685524) is (E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride.
What is the SMILES notation for (E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride?
The canonical SMILES for (E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride is O=C(Cl)/C=C/c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of (E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride?
The InChIKey is KRECCZJBFAUZQF-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H12ClFO2/c17-16(19)9-6-12-2-1-3-15(10-12)20-11-13-4-7-14(18)8-5-13/h1-10H,11H2/b9-6+.
What are the key properties of (E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride?
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride has a molecular weight of 290.72 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride is sourced from PubChem (CID 91685524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).