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

C24H28O8 — CID 70241546

IUPAC1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C(O)(C(=O)O)CCC2.COc1ccc2c(c1)C(O)(C(=O)O)CCC2
InChIInChI=1S/2C12H14O4/c2*1-16-9-5-4-8-3-2-6-12(15,11(13)14)10(8)7-9/h2*4-5,7,15H,2-3,6H2,1H3,(H,13,14)
InChIKeyNBANFOZVWOYBIE-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.61
Rot. Bonds4

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

1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 70241546) has the molecular formula C24H28O8 and a molecular weight of 444.48 g/mol. Its IUPAC name is 1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID70241546
Molecular FormulaC24H28O8
Molecular Weight444.48 g/mol
Exact Mass444.18
IUPAC Name1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C(O)(C(=O)O)CCC2.COc1ccc2c(c1)C(O)(C(=O)O)CCC2
InChIInChI=1S/2C12H14O4/c2*1-16-9-5-4-8-3-2-6-12(15,11(13)14)10(8)7-9/h2*4-5,7,15H,2-3,6H2,1H3,(H,13,14)
InChIKeyNBANFOZVWOYBIE-UHFFFAOYSA-N
XLogP2.61
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 105461504
1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235885
1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79247834
7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235750
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79248307
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908874
1-(azepan-1-yl)-6-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 79371967
ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
CID 70809295
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 70953559
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 70241546) is 1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is COc1ccc2c(c1)C(O)(C(=O)O)CCC2.COc1ccc2c(c1)C(O)(C(=O)O)CCC2.
What is the InChIKey of 1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is NBANFOZVWOYBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14O4/c2*1-16-9-5-4-8-3-2-6-12(15,11(13)14)10(8)7-9/h2*4-5,7,15H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 444.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 70241546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).