2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid

C14H16O6 — CID 151109403

IUPAC2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid
SMILESCOc1cc2c(c(OC)c1OC)CCC(O)=C2C(=O)O
InChIInChI=1S/C14H16O6/c1-18-10-6-8-7(12(19-2)13(10)20-3)4-5-9(15)11(8)14(16)17/h6,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyMPUMHFVTARFYOL-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.01
Rot. Bonds4

About 2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid

2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid (PubChem CID 151109403) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid
PubChem CID151109403
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid
SMILESCOc1cc2c(c(OC)c1OC)CCC(O)=C2C(=O)O
InChIInChI=1S/C14H16O6/c1-18-10-6-8-7(12(19-2)13(10)20-3)4-5-9(15)11(8)14(16)17/h6,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyMPUMHFVTARFYOL-UHFFFAOYSA-N
XLogP2.01
TPSA85.22 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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 89464599
(1S)-4,5,6-trimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71405237
(2E)-2-(4,5,6-trimethoxy-2,3-dihydroinden-1-ylidene)acetonitrile
CID 125464319
5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol
CID 123678061
7-(hydroxymethyl)-1,2,3-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71272183
N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide
CID 18445847
5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 174824167
(5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine
CID 4656753
5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 66009081
(3,4,5-trimethoxybenzoyl)sulfonyl-(3,4,5-trimethoxyphenyl)methanone
CID 88824717
6-amino-2,3,4-trimethoxybenzoic acid
CID 13036392
morpholin-4-yl-(5,6,7-trimethoxy-3,4-dihydronaphthalen-2-yl)methanone
CID 110181392

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of 2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid (CID 151109403) is 2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid is COc1cc2c(c(OC)c1OC)CCC(O)=C2C(=O)O.
What is the InChIKey of 2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid?
The InChIKey is MPUMHFVTARFYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O6/c1-18-10-6-8-7(12(19-2)13(10)20-3)4-5-9(15)11(8)14(16)17/h6,15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid?
2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 151109403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).