1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C11H12O4 — CID 105461504

IUPAC1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESO=C(O)C1(O)CCCc2ccc(O)cc21
InChIInChI=1S/C11H12O4/c12-8-4-3-7-2-1-5-11(15,10(13)14)9(7)6-8/h3-4,6,12,15H,1-2,5H2,(H,13,14)
InChIKeyMSBLHEKZIZMMRE-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.00
Rot. Bonds1

About 1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 105461504) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID105461504
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESO=C(O)C1(O)CCCc2ccc(O)cc21
InChIInChI=1S/C11H12O4/c12-8-4-3-7-2-1-5-11(15,10(13)14)9(7)6-8/h3-4,6,12,15H,1-2,5H2,(H,13,14)
InChIKeyMSBLHEKZIZMMRE-UHFFFAOYSA-N
XLogP1.00
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908874
2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 68638275
2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 14598198
5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one
CID 166172267
1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
3,3-diamino-1,2-dihydroinden-5-ol
CID 66833532
4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid
CID 83909751
methyl (1'S)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate
CID 143977583
1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol
CID 105438625
2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057296
8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol
CID 105460560

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 105461504) is 1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is O=C(O)C1(O)CCCc2ccc(O)cc21.
What is the InChIKey of 1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is MSBLHEKZIZMMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-8-4-3-7-2-1-5-11(15,10(13)14)9(7)6-8/h3-4,6,12,15H,1-2,5H2,(H,13,14).
What are the key properties of 1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 105461504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).