(Z)-3-(4-hydroxyphenyl)prop-2-enal

C9H8O2 — CID 57400876

IUPAC(Z)-3-(4-hydroxyphenyl)prop-2-enal
SMILESO=C/C=C\c1ccc(O)cc1
InChIInChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1-
InChIKeyCJXMVKYNVIGQBS-UPHRSURJSA-N
MW148.16 g/mol
LogP1.60
Rot. Bonds2

About (Z)-3-(4-hydroxyphenyl)prop-2-enal

(Z)-3-(4-hydroxyphenyl)prop-2-enal (PubChem CID 57400876) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is (Z)-3-(4-hydroxyphenyl)prop-2-enal.

Molecular Properties

Compound Name(Z)-3-(4-hydroxyphenyl)prop-2-enal
PubChem CID57400876
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name(Z)-3-(4-hydroxyphenyl)prop-2-enal
SMILESO=C/C=C\c1ccc(O)cc1
InChIInChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1-
InChIKeyCJXMVKYNVIGQBS-UPHRSURJSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxyphenyl)prop-2-enal?
The IUPAC name of (Z)-3-(4-hydroxyphenyl)prop-2-enal (CID 57400876) is (Z)-3-(4-hydroxyphenyl)prop-2-enal.
What is the SMILES notation for (Z)-3-(4-hydroxyphenyl)prop-2-enal?
The canonical SMILES for (Z)-3-(4-hydroxyphenyl)prop-2-enal is O=C/C=C\c1ccc(O)cc1.
What is the InChIKey of (Z)-3-(4-hydroxyphenyl)prop-2-enal?
The InChIKey is CJXMVKYNVIGQBS-UPHRSURJSA-N. The full InChI is InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1-.
What are the key properties of (Z)-3-(4-hydroxyphenyl)prop-2-enal?
(Z)-3-(4-hydroxyphenyl)prop-2-enal has a molecular weight of 148.16 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxyphenyl)prop-2-enal is sourced from PubChem (CID 57400876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).