7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid

C13H13O4P — CID 143812778

IUPAC7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid
SMILESCOc1ccc2c(OCP)cc(C(=O)O)cc2c1
InChIInChI=1S/C13H13O4P/c1-16-10-2-3-11-8(5-10)4-9(13(14)15)6-12(11)17-7-18/h2-6H,7,18H2,1H3,(H,14,15)
InChIKeyYIBPTPYNROKVNW-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.76
Rot. Bonds4

About 7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid

7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid (PubChem CID 143812778) has the molecular formula C13H13O4P and a molecular weight of 264.22 g/mol. Its IUPAC name is 7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid
PubChem CID143812778
Molecular FormulaC13H13O4P
Molecular Weight264.22 g/mol
Exact Mass264.06
IUPAC Name7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid
SMILESCOc1ccc2c(OCP)cc(C(=O)O)cc2c1
InChIInChI=1S/C13H13O4P/c1-16-10-2-3-11-8(5-10)4-9(13(14)15)6-12(11)17-7-18/h2-6H,7,18H2,1H3,(H,14,15)
InChIKeyYIBPTPYNROKVNW-UHFFFAOYSA-N
XLogP2.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid
CID 127024734
4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 19868719
ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate
CID 14971234
7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid
CID 59590506
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
CID 16732361
CID 16732361
(3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium
CID 23412525
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
CID 170440928
4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid
CID 68534678

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid (CID 143812778) is 7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid is COc1ccc2c(OCP)cc(C(=O)O)cc2c1.
What is the InChIKey of 7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid?
The InChIKey is YIBPTPYNROKVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4P/c1-16-10-2-3-11-8(5-10)4-9(13(14)15)6-12(11)17-7-18/h2-6H,7,18H2,1H3,(H,14,15).
What are the key properties of 7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid?
7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid has a molecular weight of 264.22 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 143812778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).