(E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one

C19H14O2 — CID 5348770

IUPAC(E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc2ccccc2c1O
InChIInChI=1S/C19H14O2/c20-18(13-10-14-6-2-1-3-7-14)17-12-11-15-8-4-5-9-16(15)19(17)21/h1-13,21H/b13-10+
InChIKeySDJKQYUTPDOVQI-JLHYYAGUSA-N
MW274.32 g/mol
LogP4.44
Rot. Bonds3

About (E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one

(E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one (PubChem CID 5348770) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one
PubChem CID5348770
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name(E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc2ccccc2c1O
InChIInChI=1S/C19H14O2/c20-18(13-10-14-6-2-1-3-7-14)17-12-11-15-8-4-5-9-16(15)19(17)21/h1-13,21H/b13-10+
InChIKeySDJKQYUTPDOVQI-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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one (CID 5348770) is (E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccc2ccccc2c1O.
What is the InChIKey of (E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one?
The InChIKey is SDJKQYUTPDOVQI-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H14O2/c20-18(13-10-14-6-2-1-3-7-14)17-12-11-15-8-4-5-9-16(15)19(17)21/h1-13,21H/b13-10+.
What are the key properties of (E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one?
(E)-1-(1-hydroxynaphthalen-2-yl)-3-phenylprop-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-(1-hydroxynaphthalen-2-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 5348770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).