2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone

C18H14O4 — CID 102033077

IUPAC2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone
SMILESO=C(Cc1ccc2ccccc2c1)c1ccc(O)c(O)c1O
InChIInChI=1S/C18H14O4/c19-15-8-7-14(17(21)18(15)22)16(20)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9,19,21-22H,10H2
InChIKeyRCBXHWTWOBJQCG-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.38
Rot. Bonds3

About 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone

2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone (PubChem CID 102033077) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone
PubChem CID102033077
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone
SMILESO=C(Cc1ccc2ccccc2c1)c1ccc(O)c(O)c1O
InChIInChI=1S/C18H14O4/c19-15-8-7-14(17(21)18(15)22)16(20)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9,19,21-22H,10H2
InChIKeyRCBXHWTWOBJQCG-UHFFFAOYSA-N
XLogP3.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone
CID 86168502
1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
sodium 2-naphthalen-2-ylacetate
CID 23688045
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199
iodo 2-naphthalen-2-ylacetate
CID 129274840
CID 162695032
CID 162695032
N-(3-hydroxyphenyl)-2-naphthalen-2-ylacetamide
CID 28739776
1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone
CID 55225077

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone?
The IUPAC name of 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone (CID 102033077) is 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone.
What is the SMILES notation for 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone?
The canonical SMILES for 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone is O=C(Cc1ccc2ccccc2c1)c1ccc(O)c(O)c1O.
What is the InChIKey of 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone?
The InChIKey is RCBXHWTWOBJQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c19-15-8-7-14(17(21)18(15)22)16(20)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9,19,21-22H,10H2.
What are the key properties of 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone?
2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone has a molecular weight of 294.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone is sourced from PubChem (CID 102033077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).