2,4-dimethyl-5-phenylpent-2-enoic acid

C13H16O2 — CID 76793021

IUPAC2,4-dimethyl-5-phenylpent-2-enoic acid
SMILESCC(=CC(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H16O2/c1-10(8-11(2)13(14)15)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeyLSPWIPZSRSIPDC-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.90
Rot. Bonds4

About 2,4-dimethyl-5-phenylpent-2-enoic acid

2,4-dimethyl-5-phenylpent-2-enoic acid (PubChem CID 76793021) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,4-dimethyl-5-phenylpent-2-enoic acid.

Molecular Properties

Compound Name2,4-dimethyl-5-phenylpent-2-enoic acid
PubChem CID76793021
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2,4-dimethyl-5-phenylpent-2-enoic acid
SMILESCC(=CC(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H16O2/c1-10(8-11(2)13(14)15)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeyLSPWIPZSRSIPDC-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.90
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

[(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene
CID 11097089
(E)-2,5-dimethyl-6-phenylhex-2-enoic acid
CID 67879013
chloromethylbenzene;4-(dimethylamino)-2-methylpent-2-enoic acid
CID 66617517
oxalic acid;1-phenylpropan-2-ol
CID 162336088
(E)-4-ethyl-2,6-dimethyl-7-phenylmethoxyhept-2-enoic acid
CID 138533862
(3S)-3-chloro-4-phenylbutan-2-one
CID 93194172
(2R)-2-methyl-3-phenylpropan-1-imine
CID 59990579
N-(2-methyl-3-phenylpropylidene)hydroxylamine
CID 88518263
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
formic acid;2-methylpropylbenzene
CID 162001374
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
(2S)-2-bromo-3-phenylpropanoyl chloride
CID 87208582

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-phenylpent-2-enoic acid?
The IUPAC name of 2,4-dimethyl-5-phenylpent-2-enoic acid (CID 76793021) is 2,4-dimethyl-5-phenylpent-2-enoic acid.
What is the SMILES notation for 2,4-dimethyl-5-phenylpent-2-enoic acid?
The canonical SMILES for 2,4-dimethyl-5-phenylpent-2-enoic acid is CC(=CC(C)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2,4-dimethyl-5-phenylpent-2-enoic acid?
The InChIKey is LSPWIPZSRSIPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(8-11(2)13(14)15)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,14,15).
What are the key properties of 2,4-dimethyl-5-phenylpent-2-enoic acid?
2,4-dimethyl-5-phenylpent-2-enoic acid has a molecular weight of 204.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-phenylpent-2-enoic acid is sourced from PubChem (CID 76793021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).