6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid

C14H14O3 — CID 155685936

IUPAC6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid
SMILESCc1cc2c(C)c(O)cc(C)c2cc1C(=O)O
InChIInChI=1S/C14H14O3/c1-7-4-12-9(3)13(15)5-8(2)10(12)6-11(7)14(16)17/h4-6,15H,1-3H3,(H,16,17)
InChIKeyOHNZXIHUEIROIQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.17
Rot. Bonds1

About 6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid

6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid (PubChem CID 155685936) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid
PubChem CID155685936
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid
SMILESCc1cc2c(C)c(O)cc(C)c2cc1C(=O)O
InChIInChI=1S/C14H14O3/c1-7-4-12-9(3)13(15)5-8(2)10(12)6-11(7)14(16)17/h4-6,15H,1-3H3,(H,16,17)
InChIKeyOHNZXIHUEIROIQ-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

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3,4-dihydroxy-2,5-dimethylbenzoic acid
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ethane;3-hydroxy-2,5-dimethylbenzoic acid
CID 142823767
5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 19963527
5-hydroxy-3,4-dimethylphthalic acid
CID 87631435
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid
CID 59736343
2-[4-(6-carboxy-3-hydroxy-2,4-dimethylphenyl)-2,3,5,6-tetramethylphenyl]-4-hydroxy-3,5-dimethylbenzoic acid
CID 150850601
5,12,17,18-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11-dicarboxylic acid
CID 163726690
5-iodo-2,4-dimethylbenzoic acid
CID 23091875

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid?
The IUPAC name of 6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid (CID 155685936) is 6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid is Cc1cc2c(C)c(O)cc(C)c2cc1C(=O)O.
What is the InChIKey of 6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid?
The InChIKey is OHNZXIHUEIROIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-7-4-12-9(3)13(15)5-8(2)10(12)6-11(7)14(16)17/h4-6,15H,1-3H3,(H,16,17).
What are the key properties of 6-hydroxy-3,5,8-trimethylnaphthalene-2-carboxylic acid?
6-hydroxy-3,5,8-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-3,5,8-trimethylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 155685936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).