7-methoxy-7-phenylhepta-2,4-dienoic acid

C14H16O3 — CID 74015255

IUPAC7-methoxy-7-phenylhepta-2,4-dienoic acid
SMILESCOC(CC=CC=CC(=O)O)c1ccccc1
InChIInChI=1S/C14H16O3/c1-17-13(12-8-4-2-5-9-12)10-6-3-7-11-14(15)16/h2-9,11,13H,10H2,1H3,(H,15,16)
InChIKeyPCYDDQUGMBCZRH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.96
Rot. Bonds6

About 7-methoxy-7-phenylhepta-2,4-dienoic acid

7-methoxy-7-phenylhepta-2,4-dienoic acid (PubChem CID 74015255) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-methoxy-7-phenylhepta-2,4-dienoic acid.

Molecular Properties

Compound Name7-methoxy-7-phenylhepta-2,4-dienoic acid
PubChem CID74015255
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name7-methoxy-7-phenylhepta-2,4-dienoic acid
SMILESCOC(CC=CC=CC(=O)O)c1ccccc1
InChIInChI=1S/C14H16O3/c1-17-13(12-8-4-2-5-9-12)10-6-3-7-11-14(15)16/h2-9,11,13H,10H2,1H3,(H,15,16)
InChIKeyPCYDDQUGMBCZRH-UHFFFAOYSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-dienoyl chloride
CID 91213709
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
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
(2R)-2-methoxy-2-phenylethanol
CID 6950345
5-methoxypenta-2,4-dienoic acid
CID 54531073
N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 87518782
deca-2,4,6-trienoic acid;toluene
CID 86643557
(2E,4E)-7-methylundeca-2,4-dienoic acid
CID 19761491
(E)-4-oxo-4-(1-phenylbut-3-enoxy)but-2-enoic acid
CID 18458468

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-phenylhepta-2,4-dienoic acid?
The IUPAC name of 7-methoxy-7-phenylhepta-2,4-dienoic acid (CID 74015255) is 7-methoxy-7-phenylhepta-2,4-dienoic acid.
What is the SMILES notation for 7-methoxy-7-phenylhepta-2,4-dienoic acid?
The canonical SMILES for 7-methoxy-7-phenylhepta-2,4-dienoic acid is COC(CC=CC=CC(=O)O)c1ccccc1.
What is the InChIKey of 7-methoxy-7-phenylhepta-2,4-dienoic acid?
The InChIKey is PCYDDQUGMBCZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-17-13(12-8-4-2-5-9-12)10-6-3-7-11-14(15)16/h2-9,11,13H,10H2,1H3,(H,15,16).
What are the key properties of 7-methoxy-7-phenylhepta-2,4-dienoic acid?
7-methoxy-7-phenylhepta-2,4-dienoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-phenylhepta-2,4-dienoic acid is sourced from PubChem (CID 74015255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).