(E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid

C12H14O3 — CID 118714901

IUPAC(E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid
SMILESO=C(O)CC/C=C/c1ccccc1CO
InChIInChI=1S/C12H14O3/c13-9-11-7-2-1-5-10(11)6-3-4-8-12(14)15/h1-3,5-7,13H,4,8-9H2,(H,14,15)/b6-3+
InChIKeyVJQGWPRXPTYZQW-ZZXKWVIFSA-N
MW206.24 g/mol
LogP2.06
Rot. Bonds5

About (E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid

(E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid (PubChem CID 118714901) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid
PubChem CID118714901
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid
SMILESO=C(O)CC/C=C/c1ccccc1CO
InChIInChI=1S/C12H14O3/c13-9-11-7-2-1-5-10(11)6-3-4-8-12(14)15/h1-3,5-7,13H,4,8-9H2,(H,14,15)/b6-3+
InChIKeyVJQGWPRXPTYZQW-ZZXKWVIFSA-N
XLogP2.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid?
The IUPAC name of (E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid (CID 118714901) is (E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid.
What is the SMILES notation for (E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid?
The canonical SMILES for (E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid is O=C(O)CC/C=C/c1ccccc1CO.
What is the InChIKey of (E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid?
The InChIKey is VJQGWPRXPTYZQW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H14O3/c13-9-11-7-2-1-5-10(11)6-3-4-8-12(14)15/h1-3,5-7,13H,4,8-9H2,(H,14,15)/b6-3+.
What are the key properties of (E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid?
(E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[2-(hydroxymethyl)phenyl]pent-4-enoic acid is sourced from PubChem (CID 118714901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).