2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid

C18H20O6 — CID 68522275

IUPAC2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid
SMILESCC(O)Cc1cc2cccc(C(=O)O)c2c(C(=O)O)c1CC(C)O
InChIInChI=1S/C18H20O6/c1-9(19)6-12-8-11-4-3-5-13(17(21)22)15(11)16(18(23)24)14(12)7-10(2)20/h3-5,8-10,19-20H,6-7H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyAVLASMZBVBBXLS-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.08
Rot. Bonds6

About 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid

2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid (PubChem CID 68522275) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid.

Molecular Properties

Compound Name2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid
PubChem CID68522275
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid
SMILESCC(O)Cc1cc2cccc(C(=O)O)c2c(C(=O)O)c1CC(C)O
InChIInChI=1S/C18H20O6/c1-9(19)6-12-8-11-4-3-5-13(17(21)22)15(11)16(18(23)24)14(12)7-10(2)20/h3-5,8-10,19-20H,6-7H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyAVLASMZBVBBXLS-UHFFFAOYSA-N
XLogP2.08
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid 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

3-hydroxy-2-(2-hydroxypropyl)benzoic acid
CID 174903948
2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
CID 162921751
anthracene-1,9-dicarboxylic acid
CID 13155838
3-(3-hydroxybutyl)phthalic acid
CID 172943535
3-(2-hydroxypropanoyl)phthalic acid
CID 122441279
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
2-bromo-3-chloronaphthalene-1,8-dicarboxylic acid
CID 70631094
2-hydroxynaphthalene-1,8-dicarboxylic acid
CID 19938987
3-[2-(2-hydroxypropoxy)propyl]phthalic acid
CID 139699680
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
naphthalene-1,2,4,8-tetracarboxylic acid
CID 21270256
7,8-dihydroxynaphthalene-1,6-dicarboxylic acid
CID 71430737

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid?
The IUPAC name of 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid (CID 68522275) is 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid.
What is the SMILES notation for 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid?
The canonical SMILES for 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid is CC(O)Cc1cc2cccc(C(=O)O)c2c(C(=O)O)c1CC(C)O.
What is the InChIKey of 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid?
The InChIKey is AVLASMZBVBBXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-9(19)6-12-8-11-4-3-5-13(17(21)22)15(11)16(18(23)24)14(12)7-10(2)20/h3-5,8-10,19-20H,6-7H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid?
2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid has a molecular weight of 332.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid is sourced from PubChem (CID 68522275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).