2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid

C14H16O6 — CID 10755171

IUPAC2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid
SMILESCOc1cc2c(cc1OC)C(=O)C(C(O)C(=O)O)CC2
InChIInChI=1S/C14H16O6/c1-19-10-5-7-3-4-8(13(16)14(17)18)12(15)9(7)6-11(10)20-2/h5-6,8,13,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyNFWXYDLYUQFSMG-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.89
Rot. Bonds4

About 2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid

2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid (PubChem CID 10755171) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid
PubChem CID10755171
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid
SMILESCOc1cc2c(cc1OC)C(=O)C(C(O)C(=O)O)CC2
InChIInChI=1S/C14H16O6/c1-19-10-5-7-3-4-8(13(16)14(17)18)12(15)9(7)6-11(10)20-2/h5-6,8,13,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyNFWXYDLYUQFSMG-UHFFFAOYSA-N
XLogP0.89
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium
CID 4518460
2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-oxopropanoic acid
CID 163993738
3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 70957135
(2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 84638800
3-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
CID 14128308
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
(2S)-2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 175025769
(2R)-2-[(R)-(1-benzylpiperidin-4-yl)-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 76963216
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;2,3-dihydroxybutanedioic acid
CID 56947395
2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanoic acid
CID 119134924
(2R)-6,7-dimethoxy-2-(4-nitrophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 99770218
5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one
CID 22311400

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid (CID 10755171) is 2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid is COc1cc2c(cc1OC)C(=O)C(C(O)C(=O)O)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid?
The InChIKey is NFWXYDLYUQFSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O6/c1-19-10-5-7-3-4-8(13(16)14(17)18)12(15)9(7)6-11(10)20-2/h5-6,8,13,16H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid?
2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 10755171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).