(Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid

C15H20O3 — CID 122364608

IUPAC(Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid
SMILESCCC(/C=C(/C)c1ccccc1O)(CC)C(=O)O
InChIInChI=1S/C15H20O3/c1-4-15(5-2,14(17)18)10-11(3)12-8-6-7-9-13(12)16/h6-10,16H,4-5H2,1-3H3,(H,17,18)/b11-10-
InChIKeyGAWAAOQXEFNOSI-KHPPLWFESA-N
MW248.32 g/mol
LogP3.69
Rot. Bonds5

About (Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid

(Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid (PubChem CID 122364608) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid.

Molecular Properties

Compound Name(Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid
PubChem CID122364608
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid
SMILESCCC(/C=C(/C)c1ccccc1O)(CC)C(=O)O
InChIInChI=1S/C15H20O3/c1-4-15(5-2,14(17)18)10-11(3)12-8-6-7-9-13(12)16/h6-10,16H,4-5H2,1-3H3,(H,17,18)/b11-10-
InChIKeyGAWAAOQXEFNOSI-KHPPLWFESA-N
XLogP3.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15261544
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2-(2-hydroxyphenyl)-2-methylbutanoic acid
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N-ethylethanamine;2-hydroxybenzoic acid;hydrate
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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid?
The IUPAC name of (Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid (CID 122364608) is (Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid.
What is the SMILES notation for (Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid?
The canonical SMILES for (Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid is CCC(/C=C(/C)c1ccccc1O)(CC)C(=O)O.
What is the InChIKey of (Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid?
The InChIKey is GAWAAOQXEFNOSI-KHPPLWFESA-N. The full InChI is InChI=1S/C15H20O3/c1-4-15(5-2,14(17)18)10-11(3)12-8-6-7-9-13(12)16/h6-10,16H,4-5H2,1-3H3,(H,17,18)/b11-10-.
What are the key properties of (Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid?
(Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid is sourced from PubChem (CID 122364608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).