6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid

C15H16O3 — CID 155685922

IUPAC6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid
SMILESCc1cc2cc(C(=O)O)c(C)c(C)c2c(C)c1O
InChIInChI=1S/C15H16O3/c1-7-5-11-6-12(15(17)18)8(2)9(3)13(11)10(4)14(7)16/h5-6,16H,1-4H3,(H,17,18)
InChIKeyUEXXBZXXHLQUNI-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.48
Rot. Bonds1

About 6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid

6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid (PubChem CID 155685922) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid
PubChem CID155685922
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid
SMILESCc1cc2cc(C(=O)O)c(C)c(C)c2c(C)c1O
InChIInChI=1S/C15H16O3/c1-7-5-11-6-12(15(17)18)8(2)9(3)13(11)10(4)14(7)16/h5-6,16H,1-4H3,(H,17,18)
InChIKeyUEXXBZXXHLQUNI-UHFFFAOYSA-N
XLogP3.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5,6-tetramethylnaphthalene-2-carboxylic acid
CID 142668958
6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid
CID 155685907
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
2-[4-(6-carboxy-3-hydroxy-2,4-dimethylphenyl)-2,3,5,6-tetramethylphenyl]-4-hydroxy-3,5-dimethylbenzoic acid
CID 150850601
3-hydroxy-2,5-dimethylterephthalic acid
CID 169085386
3-hydroxy-2,4,6-trimethylbenzoic acid
CID 84657275
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
4-bromo-3-hydroxy-2,5-dimethylbenzoic acid
CID 84802761
3,4-dihydroxy-5-methylnaphthalene-2-carboxylic acid
CID 130295389
3-bromo-2,4-dihydroxy-5-methylbenzoic acid
CID 84803245
4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid
CID 117285992
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid?
The IUPAC name of 6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid (CID 155685922) is 6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid is Cc1cc2cc(C(=O)O)c(C)c(C)c2c(C)c1O.
What is the InChIKey of 6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid?
The InChIKey is UEXXBZXXHLQUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-7-5-11-6-12(15(17)18)8(2)9(3)13(11)10(4)14(7)16/h5-6,16H,1-4H3,(H,17,18).
What are the key properties of 6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid?
6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 155685922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).