4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid

C14H18O3 — CID 170477380

IUPAC4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C=CCCO)cc1
InChIInChI=1S/C14H18O3/c15-11-2-1-4-12-7-9-13(10-8-12)5-3-6-14(16)17/h1,4,7-10,15H,2-3,5-6,11H2,(H,16,17)
InChIKeyYHRQICFZWCMPNC-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.49
Rot. Bonds7

About 4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid

4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid (PubChem CID 170477380) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid
PubChem CID170477380
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C=CCCO)cc1
InChIInChI=1S/C14H18O3/c15-11-2-1-4-12-7-9-13(10-8-12)5-3-6-14(16)17/h1,4,7-10,15H,2-3,5-6,11H2,(H,16,17)
InChIKeyYHRQICFZWCMPNC-UHFFFAOYSA-N
XLogP2.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-hydroxybut-1-enyl)phenyl]propanoic acid
CID 170477084
4-[4-(4-sulfanylbut-1-enyl)phenyl]butanoic acid
CID 170479159
5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid
CID 54326836
3-[4-[(E)-non-1-enyl]phenyl]propanoic acid
CID 67913718
(E)-6-(4-bromophenyl)hex-5-enoic acid
CID 14939379
(Z)-27-(4-hydroxyphenyl)heptacos-26-enoic acid
CID 177424938
7-(4-fluorophenyl)hept-6-enoic acid
CID 54475519
(E)-4-(4-butylphenyl)but-3-enoic acid
CID 95442446
(E)-6-(4-tert-butylphenyl)hex-5-enoic acid
CID 95457618
5-(4-hydroxyphenyl)pent-4-enoic acid
CID 67881983
6-(4-cyanophenyl)hex-5-enoic acid
CID 54023642
4-(4-iodophenyl)butanoic acid
CID 4645427

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid (CID 170477380) is 4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid is O=C(O)CCCc1ccc(C=CCCO)cc1.
What is the InChIKey of 4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid?
The InChIKey is YHRQICFZWCMPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-11-2-1-4-12-7-9-13(10-8-12)5-3-6-14(16)17/h1,4,7-10,15H,2-3,5-6,11H2,(H,16,17).
What are the key properties of 4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid?
4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid has a molecular weight of 234.29 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid is sourced from PubChem (CID 170477380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).