3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one

C19H16O2 — CID 73097442

IUPAC3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one
SMILESO=C(CC(O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16O2/c20-18(15-7-2-1-3-8-15)13-19(21)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18,20H,13H2
InChIKeyQZSCMFKXDWJHPL-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.15
Rot. Bonds4

About 3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one

3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one (PubChem CID 73097442) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one
PubChem CID73097442
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one
SMILESO=C(CC(O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16O2/c20-18(15-7-2-1-3-8-15)13-19(21)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18,20H,13H2
InChIKeyQZSCMFKXDWJHPL-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one?
The IUPAC name of 3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one (CID 73097442) is 3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one.
What is the SMILES notation for 3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one?
The canonical SMILES for 3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one is O=C(CC(O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one?
The InChIKey is QZSCMFKXDWJHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c20-18(15-7-2-1-3-8-15)13-19(21)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18,20H,13H2.
What are the key properties of 3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one?
3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one has a molecular weight of 276.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-naphthalen-2-yl-3-phenylpropan-1-one is sourced from PubChem (CID 73097442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).