7-methoxy-7-phenylhepta-2,4-dienoyl chloride

C14H15ClO2 — CID 91213709

IUPAC7-methoxy-7-phenylhepta-2,4-dienoyl chloride
SMILESCOC(CC=CC=CC(=O)Cl)c1ccccc1
InChIInChI=1S/C14H15ClO2/c1-17-13(12-8-4-2-5-9-12)10-6-3-7-11-14(15)16/h2-9,11,13H,10H2,1H3
InChIKeyFVVAUDRUDYCULO-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.64
Rot. Bonds6

About 7-methoxy-7-phenylhepta-2,4-dienoyl chloride

7-methoxy-7-phenylhepta-2,4-dienoyl chloride (PubChem CID 91213709) has the molecular formula C14H15ClO2 and a molecular weight of 250.73 g/mol. Its IUPAC name is 7-methoxy-7-phenylhepta-2,4-dienoyl chloride.

Molecular Properties

Compound Name7-methoxy-7-phenylhepta-2,4-dienoyl chloride
PubChem CID91213709
Molecular FormulaC14H15ClO2
Molecular Weight250.73 g/mol
Exact Mass250.08
IUPAC Name7-methoxy-7-phenylhepta-2,4-dienoyl chloride
SMILESCOC(CC=CC=CC(=O)Cl)c1ccccc1
InChIInChI=1S/C14H15ClO2/c1-17-13(12-8-4-2-5-9-12)10-6-3-7-11-14(15)16/h2-9,11,13H,10H2,1H3
InChIKeyFVVAUDRUDYCULO-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.64
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-7-phenylhepta-2,4-dienoic acid
CID 74015255
7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienoic acid;hydrochloride
CID 173099337
N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide
CID 74015252
N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 74015257
3-methoxy-3-phenylpropanoic acid
CID 13379217
N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 87518782
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
(2R)-2-methoxy-2-phenylethanol
CID 6950345
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
[(Z)-1-phenylpent-3-enyl] benzoate
CID 15142799
ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
CID 143560170
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-phenylhepta-2,4-dienoyl chloride?
The IUPAC name of 7-methoxy-7-phenylhepta-2,4-dienoyl chloride (CID 91213709) is 7-methoxy-7-phenylhepta-2,4-dienoyl chloride.
What is the SMILES notation for 7-methoxy-7-phenylhepta-2,4-dienoyl chloride?
The canonical SMILES for 7-methoxy-7-phenylhepta-2,4-dienoyl chloride is COC(CC=CC=CC(=O)Cl)c1ccccc1.
What is the InChIKey of 7-methoxy-7-phenylhepta-2,4-dienoyl chloride?
The InChIKey is FVVAUDRUDYCULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-17-13(12-8-4-2-5-9-12)10-6-3-7-11-14(15)16/h2-9,11,13H,10H2,1H3.
What are the key properties of 7-methoxy-7-phenylhepta-2,4-dienoyl chloride?
7-methoxy-7-phenylhepta-2,4-dienoyl chloride has a molecular weight of 250.73 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-phenylhepta-2,4-dienoyl chloride is sourced from PubChem (CID 91213709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).