1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone

C19H20O3 — CID 70598605

IUPAC1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone
SMILESCC(=O)C1(O)CCc2ccccc2C1OCc1ccccc1
InChIInChI=1S/C19H20O3/c1-14(20)19(21)12-11-16-9-5-6-10-17(16)18(19)22-13-15-7-3-2-4-8-15/h2-10,18,21H,11-13H2,1H3
InChIKeyVDEOFQKQMPJYLO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.21
Rot. Bonds4

About 1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone

1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone (PubChem CID 70598605) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone
PubChem CID70598605
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone
SMILESCC(=O)C1(O)CCc2ccccc2C1OCc1ccccc1
InChIInChI=1S/C19H20O3/c1-14(20)19(21)12-11-16-9-5-6-10-17(16)18(19)22-13-15-7-3-2-4-8-15/h2-10,18,21H,11-13H2,1H3
InChIKeyVDEOFQKQMPJYLO-UHFFFAOYSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-Methylpropan-2-yl)oxy]-2-(2-phenylphenyl)acetic acid
CID 89943929
3'-(4-Methylphenyl)-3,4-dihydro-1h-spiro[naphthalene-2,2'-oxiran]-1-one
CID 287825
Ethoxy(naphthalen-1-yl)phenylacetic acid
CID 59208
4,4-dimethyl-3'-phenylspiro[3H-naphthalene-2,2'-oxirane]-1-one
CID 314722
2-Hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one
CID 46906621
2-(2,4'-dimethylspiro[6,7-dihydro-5H-naphthalene-8,1'-cyclohexane]-1-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 177378684
Longipone A
CID 170988314
(1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one
CID 138971841
2-t-Butoxy-2-(2-naphthyl)acetic acid
CID 18913516
3'-(2-Methylphenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 21564983
[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate
CID 13098252
1-Methyl-3'-phenyl-3,4-dihydro-1h-spiro[naphthalene-2,2'-oxiran]-1-ol
CID 85205239

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone (CID 70598605) is 1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone is CC(=O)C1(O)CCc2ccccc2C1OCc1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone?
The InChIKey is VDEOFQKQMPJYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-14(20)19(21)12-11-16-9-5-6-10-17(16)18(19)22-13-15-7-3-2-4-8-15/h2-10,18,21H,11-13H2,1H3.
What are the key properties of 1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone?
1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone has a molecular weight of 296.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone is sourced from PubChem (CID 70598605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).