(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one

C19H14O2 — CID 7946173

IUPAC(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C19H14O2/c20-17-11-8-16(9-12-17)19(21)13-10-15-6-3-5-14-4-1-2-7-18(14)15/h1-13,20H/b13-10+
InChIKeyFDLCWJSUCSSVIY-JLHYYAGUSA-N
MW274.32 g/mol
LogP4.44
Rot. Bonds3

About (E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one

(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one (PubChem CID 7946173) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
PubChem CID7946173
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C19H14O2/c20-17-11-8-16(9-12-17)19(21)13-10-15-6-3-5-14-4-1-2-7-18(14)15/h1-13,20H/b13-10+
InChIKeyFDLCWJSUCSSVIY-JLHYYAGUSA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.44
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

(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
CID 101136088
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide
CID 56528892
1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde
CID 175310199
3-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 5036664
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
2-[methyl-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]sulfonylamino]acetic acid
CID 24650373
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 67704950
(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7945612

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one (CID 7946173) is (E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one is O=C(/C=C/c1cccc2ccccc12)c1ccc(O)cc1.
What is the InChIKey of (E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is FDLCWJSUCSSVIY-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H14O2/c20-17-11-8-16(9-12-17)19(21)13-10-15-6-3-5-14-4-1-2-7-18(14)15/h1-13,20H/b13-10+.
What are the key properties of (E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one?
(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 274.32 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 7946173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).