(E)-4-(2-methoxyphenyl)hex-3-enoic acid

C13H16O3 — CID 83957656

IUPAC(E)-4-(2-methoxyphenyl)hex-3-enoic acid
SMILESCC/C(=C\CC(=O)O)c1ccccc1OC
InChIInChI=1S/C13H16O3/c1-3-10(8-9-13(14)15)11-6-4-5-7-12(11)16-2/h4-8H,3,9H2,1-2H3,(H,14,15)/b10-8+
InChIKeyNLLBTPAIOKGYEK-CSKARUKUSA-N
MW220.27 g/mol
LogP2.96
Rot. Bonds5

About (E)-4-(2-methoxyphenyl)hex-3-enoic acid

(E)-4-(2-methoxyphenyl)hex-3-enoic acid (PubChem CID 83957656) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (E)-4-(2-methoxyphenyl)hex-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-methoxyphenyl)hex-3-enoic acid
PubChem CID83957656
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(E)-4-(2-methoxyphenyl)hex-3-enoic acid
SMILESCC/C(=C\CC(=O)O)c1ccccc1OC
InChIInChI=1S/C13H16O3/c1-3-10(8-9-13(14)15)11-6-4-5-7-12(11)16-2/h4-8H,3,9H2,1-2H3,(H,14,15)/b10-8+
InChIKeyNLLBTPAIOKGYEK-CSKARUKUSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12531508
(Z)-3-(2-methoxyphenyl)pent-2-enal
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(E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid
CID 83958558
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one
CID 102156316
1-methoxy-2-pent-2-en-2-ylbenzene
CID 71423787
(E)-4-(5-bromo-2-propoxyphenyl)hex-3-enoic acid
CID 83958144
(E)-4-(5-chloro-2,4-diethoxyphenyl)hex-3-enoic acid
CID 83959337
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
CID 135043978
CID 135043978
2-methoxybenzoyl iodide
CID 139677083

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxyphenyl)hex-3-enoic acid?
The IUPAC name of (E)-4-(2-methoxyphenyl)hex-3-enoic acid (CID 83957656) is (E)-4-(2-methoxyphenyl)hex-3-enoic acid.
What is the SMILES notation for (E)-4-(2-methoxyphenyl)hex-3-enoic acid?
The canonical SMILES for (E)-4-(2-methoxyphenyl)hex-3-enoic acid is CC/C(=C\CC(=O)O)c1ccccc1OC.
What is the InChIKey of (E)-4-(2-methoxyphenyl)hex-3-enoic acid?
The InChIKey is NLLBTPAIOKGYEK-CSKARUKUSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-10(8-9-13(14)15)11-6-4-5-7-12(11)16-2/h4-8H,3,9H2,1-2H3,(H,14,15)/b10-8+.
What are the key properties of (E)-4-(2-methoxyphenyl)hex-3-enoic acid?
(E)-4-(2-methoxyphenyl)hex-3-enoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxyphenyl)hex-3-enoic acid is sourced from PubChem (CID 83957656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).