7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid

C12H11O7P — CID 20793163

IUPAC7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid
SMILESCOc1ccc2cc(OP(=O)(O)O)c(C(=O)O)cc2c1
InChIInChI=1S/C12H11O7P/c1-18-9-3-2-7-6-11(19-20(15,16)17)10(12(13)14)5-8(7)4-9/h2-6H,1H3,(H,13,14)(H2,15,16,17)
InChIKeyZJMPWXXPWZDDNY-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.02
Rot. Bonds4

About 7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid

7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid (PubChem CID 20793163) has the molecular formula C12H11O7P and a molecular weight of 298.19 g/mol. Its IUPAC name is 7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid
PubChem CID20793163
Molecular FormulaC12H11O7P
Molecular Weight298.19 g/mol
Exact Mass298.02
IUPAC Name7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid
SMILESCOc1ccc2cc(OP(=O)(O)O)c(C(=O)O)cc2c1
InChIInChI=1S/C12H11O7P/c1-18-9-3-2-7-6-11(19-20(15,16)17)10(12(13)14)5-8(7)4-9/h2-6H,1H3,(H,13,14)(H2,15,16,17)
InChIKeyZJMPWXXPWZDDNY-UHFFFAOYSA-N
XLogP2.02
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
CID 131880000
CID 131880000
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
5-methoxy-2-(2-methylidenebutoxy)benzoic acid
CID 66047074
(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
CID 123555772
[hydroxy-(4-methoxyphenoxy)phosphoryl]formic acid
CID 512082
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
CID 61379603
3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 18069619

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid?
The IUPAC name of 7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid (CID 20793163) is 7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid?
The canonical SMILES for 7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid is COc1ccc2cc(OP(=O)(O)O)c(C(=O)O)cc2c1.
What is the InChIKey of 7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid?
The InChIKey is ZJMPWXXPWZDDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O7P/c1-18-9-3-2-7-6-11(19-20(15,16)17)10(12(13)14)5-8(7)4-9/h2-6H,1H3,(H,13,14)(H2,15,16,17).
What are the key properties of 7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid?
7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid has a molecular weight of 298.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phosphonooxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 20793163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).