(E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid

C16H22O3 — CID 83959100

IUPAC(E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid
SMILESCCOc1ccc(/C(=C/CC(=O)O)CC)c(CC)c1
InChIInChI=1S/C16H22O3/c1-4-12(7-10-16(17)18)15-9-8-14(19-6-3)11-13(15)5-2/h7-9,11H,4-6,10H2,1-3H3,(H,17,18)/b12-7+
InChIKeyNDJRVVRHRFWTLX-KPKJPENVSA-N
MW262.35 g/mol
LogP3.92
Rot. Bonds7

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

(E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid (PubChem CID 83959100) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid
PubChem CID83959100
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid
SMILESCCOc1ccc(/C(=C/CC(=O)O)CC)c(CC)c1
InChIInChI=1S/C16H22O3/c1-4-12(7-10-16(17)18)15-9-8-14(19-6-3)11-13(15)5-2/h7-9,11H,4-6,10H2,1-3H3,(H,17,18)/b12-7+
InChIKeyNDJRVVRHRFWTLX-KPKJPENVSA-N
XLogP3.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(5-chloro-2,4-diethoxyphenyl)hex-3-enoic acid
CID 83959337
cyclopropyl-(4-ethoxy-2-ethylphenyl)methanone
CID 82267347
(E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid
CID 83958558
(E)-4-(2-methoxyphenyl)hex-3-enoic acid
CID 83957656
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
2-(2-acetyl-5-ethoxyphenyl)acetaldehyde
CID 53375331
(E)-4-(5-bromo-2-propoxyphenyl)hex-3-enoic acid
CID 83958144
5-(4-ethoxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264480
3-amino-3-(4-ethoxy-2-ethylphenyl)propanoic acid
CID 3563423
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
(E)-3-(2-ethyl-4-methoxyphenyl)hex-2-enoic acid
CID 83959086

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid?
The IUPAC name of (E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid (CID 83959100) is (E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid.
What is the SMILES notation for (E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid?
The canonical SMILES for (E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid is CCOc1ccc(/C(=C/CC(=O)O)CC)c(CC)c1.
What is the InChIKey of (E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid?
The InChIKey is NDJRVVRHRFWTLX-KPKJPENVSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-12(7-10-16(17)18)15-9-8-14(19-6-3)11-13(15)5-2/h7-9,11H,4-6,10H2,1-3H3,(H,17,18)/b12-7+.
What are the key properties of (E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid?
(E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-ethoxy-2-ethylphenyl)hex-3-enoic acid is sourced from PubChem (CID 83959100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).