(E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one

C12H12O2 — CID 18329115

IUPAC(E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(O)c1)C1CC1
InChIInChI=1S/C12H12O2/c13-11-3-1-2-9(8-11)4-7-12(14)10-5-6-10/h1-4,7-8,10,13H,5-6H2/b7-4+
InChIKeyTYTVINUAJKTDRQ-QPJJXVBHSA-N
MW188.23 g/mol
LogP2.38
Rot. Bonds3

About (E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one

(E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 18329115) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID18329115
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(O)c1)C1CC1
InChIInChI=1S/C12H12O2/c13-11-3-1-2-9(8-11)4-7-12(14)10-5-6-10/h1-4,7-8,10,13H,5-6H2/b7-4+
InChIKeyTYTVINUAJKTDRQ-QPJJXVBHSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.38
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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Related Compounds

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CID 97304849
3-(3-hydroxyphenyl)-1-[4-(4-hydroxypiperidin-1-yl)phenyl]prop-2-en-1-one
CID 72688449
(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
CID 19558824
(E)-3-(3-hydroxyphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 9448445
3-[(E)-2-chloroethenyl]phenol
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CID 23455779
(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
CID 56839366
(E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 5270542
1-(azepan-4-yl)-3-phenylprop-2-en-1-one
CID 4736933
(2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
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CID 2797782
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CID 82668662

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one (CID 18329115) is (E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1cccc(O)c1)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is TYTVINUAJKTDRQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-3-1-2-9(8-11)4-7-12(14)10-5-6-10/h1-4,7-8,10,13H,5-6H2/b7-4+.
What are the key properties of (E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one?
(E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 18329115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).