3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one

C19H16O2 — CID 56688148

IUPAC3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one
SMILESO=C(CCc1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H16O2/c20-18(15-7-2-1-3-8-15)13-11-17-16-9-5-4-6-14(16)10-12-19(17)21/h1-10,12,21H,11,13H2
InChIKeyNKHONXQWMNCOQW-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.36
Rot. Bonds4

About 3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one

3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one (PubChem CID 56688148) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one
PubChem CID56688148
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one
SMILESO=C(CCc1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H16O2/c20-18(15-7-2-1-3-8-15)13-11-17-16-9-5-4-6-14(16)10-12-19(17)21/h1-10,12,21H,11,13H2
InChIKeyNKHONXQWMNCOQW-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-hydroxynaphthalen-1-yl)-2-oxobutanoic acid
CID 82185756
benzoic acid;1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 69303961
3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one
CID 171615161
1-(2-hydroxyethyl)naphthalen-2-ol
CID 19602212
3-[2,6-dihydroxy-3-(methoxymethyl)phenyl]-1-phenylpropan-1-one
CID 171615163
3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
CID 14472243
1-(2-nitroethyl)naphthalen-2-ol
CID 13357014
1-(2-aminooxyethyl)naphthalen-2-ol
CID 117291431
1-phenylbutan-1-one
CID 10315
1-[(E)-but-2-enyl]naphthalen-2-ol
CID 11564655
1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol
CID 177465665
1-phenylbutan-1-one;hydrobromide
CID 139638507

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one (CID 56688148) is 3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one is O=C(CCc1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one?
The InChIKey is NKHONXQWMNCOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c20-18(15-7-2-1-3-8-15)13-11-17-16-9-5-4-6-14(16)10-12-19(17)21/h1-10,12,21H,11,13H2.
What are the key properties of 3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one?
3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one has a molecular weight of 276.34 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 56688148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).