8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid

C14H10O7 — CID 130315879

IUPAC8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(CO)c12
InChIInChI=1S/C14H10O7/c15-5-6-1-2-8(13(18)19)11-9(14(20)21)4-3-7(10(6)11)12(16)17/h1-4,15H,5H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyTZTAHZATZCKYAE-UHFFFAOYSA-N
MW290.23 g/mol
LogP1.43
Rot. Bonds4

About 8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid

8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid (PubChem CID 130315879) has the molecular formula C14H10O7 and a molecular weight of 290.23 g/mol. Its IUPAC name is 8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid.

Molecular Properties

Compound Name8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid
PubChem CID130315879
Molecular FormulaC14H10O7
Molecular Weight290.23 g/mol
Exact Mass290.04
IUPAC Name8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(CO)c12
InChIInChI=1S/C14H10O7/c15-5-6-1-2-8(13(18)19)11-9(14(20)21)4-3-7(10(6)11)12(16)17/h1-4,15H,5H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyTZTAHZATZCKYAE-UHFFFAOYSA-N
XLogP1.43
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 175992554
CID 175992554
4-(hydroxymethyl)-2,3-dimethoxybenzoic acid
CID 90442234
naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160598160
CID 87085243
CID 87085243
3-(hydroxymethyl)-1-benzothiophene-4-carboxylic acid
CID 117171039
5-(aminomethyl)-2-(hydroxymethyl)benzoic acid
CID 123783909
anthracene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160688323
2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 157313543
1,7-diethylperylene-3,4,9,10-tetracarboxylic acid
CID 54491259
4,8-bis(ethoxycarbonyl)naphthalene-1,5-dicarboxylic acid
CID 54479928
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
2-fluoro-3-(hydroxymethyl)benzoic acid
CID 2774489

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid?
The IUPAC name of 8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid (CID 130315879) is 8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid.
What is the SMILES notation for 8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid?
The canonical SMILES for 8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid is O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(CO)c12.
What is the InChIKey of 8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid?
The InChIKey is TZTAHZATZCKYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O7/c15-5-6-1-2-8(13(18)19)11-9(14(20)21)4-3-7(10(6)11)12(16)17/h1-4,15H,5H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid?
8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid has a molecular weight of 290.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)naphthalene-1,4,5-tricarboxylic acid is sourced from PubChem (CID 130315879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).