(Z)-4-(3-hydroxyphenyl)but-3-en-2-one

C10H10O2 — CID 97304849

IUPAC(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
SMILESCC(=O)/C=C\c1cccc(O)c1
InChIInChI=1S/C10H10O2/c1-8(11)5-6-9-3-2-4-10(12)7-9/h2-7,12H,1H3/b6-5-
InChIKeyBQQMTVHCRIOEDO-WAYWQWQTSA-N
MW162.19 g/mol
LogP1.99
Rot. Bonds2

About (Z)-4-(3-hydroxyphenyl)but-3-en-2-one

(Z)-4-(3-hydroxyphenyl)but-3-en-2-one (PubChem CID 97304849) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (Z)-4-(3-hydroxyphenyl)but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
PubChem CID97304849
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
SMILESCC(=O)/C=C\c1cccc(O)c1
InChIInChI=1S/C10H10O2/c1-8(11)5-6-9-3-2-4-10(12)7-9/h2-7,12H,1H3/b6-5-
InChIKeyBQQMTVHCRIOEDO-WAYWQWQTSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-hydroxyphenyl)but-3-en-2-one?
The IUPAC name of (Z)-4-(3-hydroxyphenyl)but-3-en-2-one (CID 97304849) is (Z)-4-(3-hydroxyphenyl)but-3-en-2-one.
What is the SMILES notation for (Z)-4-(3-hydroxyphenyl)but-3-en-2-one?
The canonical SMILES for (Z)-4-(3-hydroxyphenyl)but-3-en-2-one is CC(=O)/C=C\c1cccc(O)c1.
What is the InChIKey of (Z)-4-(3-hydroxyphenyl)but-3-en-2-one?
The InChIKey is BQQMTVHCRIOEDO-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H10O2/c1-8(11)5-6-9-3-2-4-10(12)7-9/h2-7,12H,1H3/b6-5-.
What are the key properties of (Z)-4-(3-hydroxyphenyl)but-3-en-2-one?
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-hydroxyphenyl)but-3-en-2-one is sourced from PubChem (CID 97304849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).