6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid

C14H14O3 — CID 155685907

IUPAC6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)cc2ccc(O)c(C)c2c1C
InChIInChI=1S/C14H14O3/c1-7-8(2)13-9(3)12(15)5-4-10(13)6-11(7)14(16)17/h4-6,15H,1-3H3,(H,16,17)
InChIKeyOOLQIWVOOLNUFC-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.17
Rot. Bonds1

About 6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid

6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid (PubChem CID 155685907) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid
PubChem CID155685907
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)cc2ccc(O)c(C)c2c1C
InChIInChI=1S/C14H14O3/c1-7-8(2)13-9(3)12(15)5-4-10(13)6-11(7)14(16)17/h4-6,15H,1-3H3,(H,16,17)
InChIKeyOOLQIWVOOLNUFC-UHFFFAOYSA-N
XLogP3.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.17
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-3,4,5,7-tetramethylnaphthalene-2-carboxylic acid
CID 155685922
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681
2,3-dimethylterephthalic acid
CID 158313107
3,4-dihydroxy-2-methylbenzoic acid
CID 10442073
4-chloro-5,6-dimethylbenzene-1,3-dicarboxylic acid
CID 174519549
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
acetic acid;1,8-dimethylnaphthalen-2-ol
CID 71380004
6-hydroxy-5-methyl-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 20736961
3,4-dihydroxy-5-methylnaphthalene-2-carboxylic acid
CID 130295389
5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 19963527
ethane;3-hydroxy-2,5-dimethylbenzoic acid
CID 142823767

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid?
The IUPAC name of 6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid (CID 155685907) is 6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid is Cc1c(C(=O)O)cc2ccc(O)c(C)c2c1C.
What is the InChIKey of 6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid?
The InChIKey is OOLQIWVOOLNUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-7-8(2)13-9(3)12(15)5-4-10(13)6-11(7)14(16)17/h4-6,15H,1-3H3,(H,16,17).
What are the key properties of 6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid?
6-hydroxy-3,4,5-trimethylnaphthalene-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 3.17, 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-trimethylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 155685907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).