1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one

C20H18O2 — CID 101237922

IUPAC1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(O)c2ccccc12)c1ccccc1
InChIInChI=1S/C20H18O2/c1-20(2,14-8-4-3-5-9-14)19(22)17-12-13-18(21)16-11-7-6-10-15(16)17/h3-13,21H,1-2H3
InChIKeyIKQARQGEKYPTSW-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.71
Rot. Bonds3

About 1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one

1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one (PubChem CID 101237922) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one
PubChem CID101237922
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(O)c2ccccc12)c1ccccc1
InChIInChI=1S/C20H18O2/c1-20(2,14-8-4-3-5-9-14)19(22)17-12-13-18(21)16-11-7-6-10-15(16)17/h3-13,21H,1-2H3
InChIKeyIKQARQGEKYPTSW-UHFFFAOYSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid
CID 24973228
4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol
CID 168820240
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one
CID 81252338
1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane
CID 174734462
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one
CID 79601820
1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one
CID 63084833
2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde
CID 174414961
1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one
CID 107475705
1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one
CID 154150476
4-[(4-hydroxynaphthalen-1-yl)disulfanyl]naphthalene-1-carboxylic acid
CID 156822104
1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 11586385

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one (CID 101237922) is 1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)c1ccc(O)c2ccccc12)c1ccccc1.
What is the InChIKey of 1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is IKQARQGEKYPTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-20(2,14-8-4-3-5-9-14)19(22)17-12-13-18(21)16-11-7-6-10-15(16)17/h3-13,21H,1-2H3.
What are the key properties of 1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one?
1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 290.36 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 101237922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).