2,4-dimethyl-6-phenylhexa-2,5-dienoic acid

C14H16O2 — CID 69226744

IUPAC2,4-dimethyl-6-phenylhexa-2,5-dienoic acid
SMILESCC(=CC(C)C=Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H16O2/c1-11(10-12(2)14(15)16)8-9-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,15,16)
InChIKeySNRPHDABNHBNFM-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.37
Rot. Bonds4

About 2,4-dimethyl-6-phenylhexa-2,5-dienoic acid

2,4-dimethyl-6-phenylhexa-2,5-dienoic acid (PubChem CID 69226744) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-phenylhexa-2,5-dienoic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-phenylhexa-2,5-dienoic acid
PubChem CID69226744
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2,4-dimethyl-6-phenylhexa-2,5-dienoic acid
SMILESCC(=CC(C)C=Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H16O2/c1-11(10-12(2)14(15)16)8-9-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,15,16)
InChIKeySNRPHDABNHBNFM-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)-2-methyl-6-phenylhexa-2,5-dienoic acid
CID 67161057
acetic acid;stilbene
CID 172803728
(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
[(E,2S)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] acetate
CID 11808513
(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid
CID 18957413
2,4-dimethyl-5-phenylpent-2-enoic acid
CID 76793021
(Z)-2-methylbut-2-enedioic acid;3-phenylprop-2-enoic acid
CID 66896559
2-methyl-3-phenylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 67448795
[(E)-3-nitrobut-1-enyl]benzene
CID 88669673
ethane-1,2-diol;bis(2-methyl-5-phenylpenta-2,4-dienoic acid)
CID 173388438

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-phenylhexa-2,5-dienoic acid?
The IUPAC name of 2,4-dimethyl-6-phenylhexa-2,5-dienoic acid (CID 69226744) is 2,4-dimethyl-6-phenylhexa-2,5-dienoic acid.
What is the SMILES notation for 2,4-dimethyl-6-phenylhexa-2,5-dienoic acid?
The canonical SMILES for 2,4-dimethyl-6-phenylhexa-2,5-dienoic acid is CC(=CC(C)C=Cc1ccccc1)C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-phenylhexa-2,5-dienoic acid?
The InChIKey is SNRPHDABNHBNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-11(10-12(2)14(15)16)8-9-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,15,16).
What are the key properties of 2,4-dimethyl-6-phenylhexa-2,5-dienoic acid?
2,4-dimethyl-6-phenylhexa-2,5-dienoic acid has a molecular weight of 216.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-phenylhexa-2,5-dienoic acid is sourced from PubChem (CID 69226744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).