(E)-4-(4-butylphenyl)but-3-enoic acid

C14H18O2 — CID 95442446

IUPAC(E)-4-(4-butylphenyl)but-3-enoic acid
SMILESCCCCc1ccc(/C=C/CC(=O)O)cc1
InChIInChI=1S/C14H18O2/c1-2-3-5-12-8-10-13(11-9-12)6-4-7-14(15)16/h4,6,8-11H,2-3,5,7H2,1H3,(H,15,16)/b6-4+
InChIKeyZEUIGOTZRNXMKI-GQCTYLIASA-N
MW218.30 g/mol
LogP3.52
Rot. Bonds6

About (E)-4-(4-butylphenyl)but-3-enoic acid

(E)-4-(4-butylphenyl)but-3-enoic acid (PubChem CID 95442446) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-4-(4-butylphenyl)but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(4-butylphenyl)but-3-enoic acid
PubChem CID95442446
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(E)-4-(4-butylphenyl)but-3-enoic acid
SMILESCCCCc1ccc(/C=C/CC(=O)O)cc1
InChIInChI=1S/C14H18O2/c1-2-3-5-12-8-10-13(11-9-12)6-4-7-14(15)16/h4,6,8-11H,2-3,5,7H2,1H3,(H,15,16)/b6-4+
InChIKeyZEUIGOTZRNXMKI-GQCTYLIASA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
CID 170483181
3-[4-[(E)-non-1-enyl]phenyl]propanoic acid
CID 67913718
(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
S-[4-(4-butylphenyl)but-3-enyl] ethanethioate
CID 170480340
3-(4-hexylphenyl)prop-2-en-1-ol
CID 169454033
3-[4-(4-ethoxy-4-oxobut-1-enyl)phenyl]propanoic acid
CID 170796668
3-(4-butylphenyl)prop-2-enal
CID 20981088
1-decyl-4-hept-1-enylbenzene
CID 173045869
benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate
CID 169471837
4-(4-hexylphenyl)but-3-en-2-one
CID 54408874
4-butylphenol;propanoic acid
CID 70308169

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-butylphenyl)but-3-enoic acid?
The IUPAC name of (E)-4-(4-butylphenyl)but-3-enoic acid (CID 95442446) is (E)-4-(4-butylphenyl)but-3-enoic acid.
What is the SMILES notation for (E)-4-(4-butylphenyl)but-3-enoic acid?
The canonical SMILES for (E)-4-(4-butylphenyl)but-3-enoic acid is CCCCc1ccc(/C=C/CC(=O)O)cc1.
What is the InChIKey of (E)-4-(4-butylphenyl)but-3-enoic acid?
The InChIKey is ZEUIGOTZRNXMKI-GQCTYLIASA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-5-12-8-10-13(11-9-12)6-4-7-14(15)16/h4,6,8-11H,2-3,5,7H2,1H3,(H,15,16)/b6-4+.
What are the key properties of (E)-4-(4-butylphenyl)but-3-enoic acid?
(E)-4-(4-butylphenyl)but-3-enoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-butylphenyl)but-3-enoic acid is sourced from PubChem (CID 95442446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).