(E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid

C15H20O3 — CID 83959220

IUPAC(E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid
SMILESCCOc1ccc(CC)cc1/C(C)=C/CC(=O)O
InChIInChI=1S/C15H20O3/c1-4-12-7-8-14(18-5-2)13(10-12)11(3)6-9-15(16)17/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)/b11-6+
InChIKeyVSAUSAQMBLWINV-IZZDOVSWSA-N
MW248.32 g/mol
LogP3.53
Rot. Bonds6

About (E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid

(E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid (PubChem CID 83959220) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid
PubChem CID83959220
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid
SMILESCCOc1ccc(CC)cc1/C(C)=C/CC(=O)O
InChIInChI=1S/C15H20O3/c1-4-12-7-8-14(18-5-2)13(10-12)11(3)6-9-15(16)17/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)/b11-6+
InChIKeyVSAUSAQMBLWINV-IZZDOVSWSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid
CID 83959422
2-ethoxy-5-(hydroxymethyl)benzoic acid
CID 163697379
5-(2-carboxyethyl)-2-ethoxybenzoic acid
CID 82052360
(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
CID 176892639
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267
5-ethyl-2-methoxybenzoic acid
CID 20721149
3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one
CID 70018291
(2-acetyl-4-ethylphenyl) benzoate
CID 11832389
(E)-4-(5-chloro-2,4-diethoxyphenyl)hex-3-enoic acid
CID 83959337
(E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid
CID 83959100
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
(E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid
CID 57379628

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid?
The IUPAC name of (E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid (CID 83959220) is (E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid.
What is the SMILES notation for (E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid?
The canonical SMILES for (E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid is CCOc1ccc(CC)cc1/C(C)=C/CC(=O)O.
What is the InChIKey of (E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid?
The InChIKey is VSAUSAQMBLWINV-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-12-7-8-14(18-5-2)13(10-12)11(3)6-9-15(16)17/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)/b11-6+.
What are the key properties of (E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid?
(E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid is sourced from PubChem (CID 83959220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).