3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one

C14H12O3 — CID 75629597

IUPAC3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCc1ccc(C(=O)C=Cc2ccccc2O)o1
InChIInChI=1S/C14H12O3/c1-10-6-9-14(17-10)13(16)8-7-11-4-2-3-5-12(11)15/h2-9,15H,1H3
InChIKeyYVHSHOIFTGABBG-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.19
Rot. Bonds3

About 3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one

3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one (PubChem CID 75629597) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
PubChem CID75629597
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCc1ccc(C(=O)C=Cc2ccccc2O)o1
InChIInChI=1S/C14H12O3/c1-10-6-9-14(17-10)13(16)8-7-11-4-2-3-5-12(11)15/h2-9,15H,1H3
InChIKeyYVHSHOIFTGABBG-UHFFFAOYSA-N
XLogP3.19
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(5-methylfuran-2-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 24506543
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 164898916
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122771
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 15150197
2-[4-[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 24561750
(E)-3-(2-hydroxyphenyl)-1-(5-methyl-3-pyridinyl)prop-2-en-1-one
CID 59463195
(4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate
CID 54312549

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one?
The IUPAC name of 3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one (CID 75629597) is 3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one is Cc1ccc(C(=O)C=Cc2ccccc2O)o1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one?
The InChIKey is YVHSHOIFTGABBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-10-6-9-14(17-10)13(16)8-7-11-4-2-3-5-12(11)15/h2-9,15H,1H3.
What are the key properties of 3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one?
3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one has a molecular weight of 228.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one is sourced from PubChem (CID 75629597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).