1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone

C18H14O3 — CID 86168502

IUPAC1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)c1cc(O)ccc1O
InChIInChI=1S/C18H14O3/c19-15-7-8-17(20)16(11-15)18(21)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,19-20H,10H2
InChIKeyLTNIDRYVAWTXOL-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.68
Rot. Bonds3

About 1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone

1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone (PubChem CID 86168502) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone
PubChem CID86168502
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)c1cc(O)ccc1O
InChIInChI=1S/C18H14O3/c19-15-7-8-17(20)16(11-15)18(21)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,19-20H,10H2
InChIKeyLTNIDRYVAWTXOL-UHFFFAOYSA-N
XLogP3.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone
CID 102033077
2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone
CID 121409988
1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 59088943
sodium 2-naphthalen-2-ylacetate
CID 23688045
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
N-(3-hydroxyphenyl)-2-naphthalen-2-ylacetamide
CID 28739776
tris[(2-naphthalen-2-ylacetyl)oxy]stannyl 2-naphthalen-2-ylacetate
CID 141032751
naphthalen-2-ol
CID 71750931
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone (CID 86168502) is 1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)c1cc(O)ccc1O.
What is the InChIKey of 1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone?
The InChIKey is LTNIDRYVAWTXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c19-15-7-8-17(20)16(11-15)18(21)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,19-20H,10H2.
What are the key properties of 1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone?
1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone has a molecular weight of 278.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 86168502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).