[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone

C28H20O3 — CID 18720381

IUPAC[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3ccccc3c(-c3c(O)ccc4ccccc34)c2O)cc1
InChIInChI=1S/C28H20O3/c1-17-10-12-19(13-11-17)27(30)23-16-20-7-3-5-9-22(20)26(28(23)31)25-21-8-4-2-6-18(21)14-15-24(25)29/h2-16,29,31H,1H3
InChIKeyBEFASPOPOCHXMG-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.61
Rot. Bonds3

About [3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone

[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone (PubChem CID 18720381) has the molecular formula C28H20O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is [3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone
PubChem CID18720381
Molecular FormulaC28H20O3
Molecular Weight404.47 g/mol
Exact Mass404.14
IUPAC Name[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3ccccc3c(-c3c(O)ccc4ccccc34)c2O)cc1
InChIInChI=1S/C28H20O3/c1-17-10-12-19(13-11-17)27(30)23-16-20-7-3-5-9-22(20)26(28(23)31)25-21-8-4-2-6-18(21)14-15-24(25)29/h2-16,29,31H,1H3
InChIKeyBEFASPOPOCHXMG-UHFFFAOYSA-N
XLogP6.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-(2-hydroxynaphthalen-1-yl)-N-methylnaphthalene-2-carboxamide
CID 101061990
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate
CID 54721974
(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
CID 67495002
3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 11810055
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
CID 162122233
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone (CID 18720381) is [3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc3ccccc3c(-c3c(O)ccc4ccccc34)c2O)cc1.
What is the InChIKey of [3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone?
The InChIKey is BEFASPOPOCHXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O3/c1-17-10-12-19(13-11-17)27(30)23-16-20-7-3-5-9-22(20)26(28(23)31)25-21-8-4-2-6-18(21)14-15-24(25)29/h2-16,29,31H,1H3.
What are the key properties of [3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone?
[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone has a molecular weight of 404.47 g/mol, XLogP of 6.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 18720381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).