ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid

C25H26O4 — CID 160574931

IUPACethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
SMILESCC.CC.O=C(O)c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O
InChIInChI=1S/C21H14O4.2C2H6/c22-17-10-9-12-5-1-3-7-14(12)18(17)19-15-8-4-2-6-13(15)11-16(20(19)23)21(24)25;2*1-2/h1-11,22-23H,(H,24,25);2*1-2H3
InChIKeyRBADUNFZZRNUSW-UHFFFAOYSA-N
MW390.48 g/mol
LogP6.82
Rot. Bonds2

About ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid

ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid (PubChem CID 160574931) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Nameethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
PubChem CID160574931
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Nameethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
SMILESCC.CC.O=C(O)c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O
InChIInChI=1S/C21H14O4.2C2H6/c22-17-10-9-12-5-1-3-7-14(12)18(17)19-15-8-4-2-6-13(15)11-16(20(19)23)21(24)25;2*1-2/h1-11,22-23H,(H,24,25);2*1-2H3
InChIKeyRBADUNFZZRNUSW-UHFFFAOYSA-N
XLogP6.82
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 56.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
3-hydroxy-4-(2-hydroxynaphthalen-1-yl)-N-methylnaphthalene-2-carboxamide
CID 101061990
3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate
CID 54721974
3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 11810055
[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone
CID 18720381
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-hydroxybenzoic acid
CID 68631677
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid?
The IUPAC name of ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid (CID 160574931) is ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid is CC.CC.O=C(O)c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O.
What is the InChIKey of ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid?
The InChIKey is RBADUNFZZRNUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O4.2C2H6/c22-17-10-9-12-5-1-3-7-14(12)18(17)19-15-8-4-2-6-13(15)11-16(20(19)23)21(24)25;2*1-2/h1-11,22-23H,(H,24,25);2*1-2H3.
What are the key properties of ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid?
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid has a molecular weight of 390.48 g/mol, XLogP of 6.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 160574931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).