(E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid

C19H20O3 — CID 83958558

IUPAC(E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid
SMILESCC/C(=C\CC(=O)O)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C19H20O3/c1-3-15(9-12-19(20)21)18-11-10-17(13-14(18)2)22-16-7-5-4-6-8-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b15-9+
InChIKeySOAVQPKSJQQACH-OQLLNIDSSA-N
MW296.37 g/mol
LogP5.06
Rot. Bonds6

About (E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid

(E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid (PubChem CID 83958558) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid
PubChem CID83958558
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid
SMILESCC/C(=C\CC(=O)O)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C19H20O3/c1-3-15(9-12-19(20)21)18-11-10-17(13-14(18)2)22-16-7-5-4-6-8-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b15-9+
InChIKeySOAVQPKSJQQACH-OQLLNIDSSA-N
XLogP5.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-4-phenoxyphenyl)-4-oxobutanoic acid
CID 82051081
2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051086
2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051101
2-methyl-4-phenoxyphenol
CID 23089676
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
4-phenoxyphenol;propanoic acid
CID 67658817
(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
calcium;hydride;phenoxybenzene;propanoic acid;dihydrate
CID 173246790
3,5-dichloroaniline;2-methyl-4-phenoxybenzamide
CID 174930679
2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide
CID 167795680

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid?
The IUPAC name of (E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid (CID 83958558) is (E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid.
What is the SMILES notation for (E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid?
The canonical SMILES for (E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid is CC/C(=C\CC(=O)O)c1ccc(Oc2ccccc2)cc1C.
What is the InChIKey of (E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid?
The InChIKey is SOAVQPKSJQQACH-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-15(9-12-19(20)21)18-11-10-17(13-14(18)2)22-16-7-5-4-6-8-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b15-9+.
What are the key properties of (E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid?
(E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid has a molecular weight of 296.37 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid is sourced from PubChem (CID 83958558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).