2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid

C13H12O5 — CID 91153958

IUPAC2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1ccc2c(O)c(CC(=O)O)c(O)cc2c1
InChIInChI=1S/C13H12O5/c1-18-8-2-3-9-7(4-8)5-11(14)10(13(9)17)6-12(15)16/h2-5,14,17H,6H2,1H3,(H,15,16)
InChIKeySNHPFHWHPWBTNU-UHFFFAOYSA-N
MW248.23 g/mol
LogP1.89
Rot. Bonds3

About 2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid

2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid (PubChem CID 91153958) has the molecular formula C13H12O5 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid
PubChem CID91153958
Molecular FormulaC13H12O5
Molecular Weight248.23 g/mol
Exact Mass248.07
IUPAC Name2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1ccc2c(O)c(CC(=O)O)c(O)cc2c1
InChIInChI=1S/C13H12O5/c1-18-8-2-3-9-7(4-8)5-11(14)10(13(9)17)6-12(15)16/h2-5,14,17H,6H2,1H3,(H,15,16)
InChIKeySNHPFHWHPWBTNU-UHFFFAOYSA-N
XLogP1.89
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate
CID 11425494
2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid
CID 83912133
7-methoxy-3,4-diphenylnaphthalen-2-ol
CID 170563506
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
3-ethyl-6-methoxynaphthalen-1-ol
CID 10442833
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
CID 13085663
2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid
CID 155486622
2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid
CID 82452003
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid (CID 91153958) is 2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid is COc1ccc2c(O)c(CC(=O)O)c(O)cc2c1.
What is the InChIKey of 2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid?
The InChIKey is SNHPFHWHPWBTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O5/c1-18-8-2-3-9-7(4-8)5-11(14)10(13(9)17)6-12(15)16/h2-5,14,17H,6H2,1H3,(H,15,16).
What are the key properties of 2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid?
2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid has a molecular weight of 248.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid is sourced from PubChem (CID 91153958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).