5-(nitrosomethyl)-2-phenylmethoxybenzoic acid

C15H13NO4 — CID 57013036

IUPAC5-(nitrosomethyl)-2-phenylmethoxybenzoic acid
SMILESO=NCc1ccc(OCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H13NO4/c17-15(18)13-8-12(9-16-19)6-7-14(13)20-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)
InChIKeyBGQOPYLATFCTFO-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.23
Rot. Bonds6

About 5-(nitrosomethyl)-2-phenylmethoxybenzoic acid

5-(nitrosomethyl)-2-phenylmethoxybenzoic acid (PubChem CID 57013036) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-(nitrosomethyl)-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name5-(nitrosomethyl)-2-phenylmethoxybenzoic acid
PubChem CID57013036
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name5-(nitrosomethyl)-2-phenylmethoxybenzoic acid
SMILESO=NCc1ccc(OCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H13NO4/c17-15(18)13-8-12(9-16-19)6-7-14(13)20-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)
InChIKeyBGQOPYLATFCTFO-UHFFFAOYSA-N
XLogP3.23
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride
CID 171385071
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-phenylmethoxybenzoic acid
CID 171385087
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid
CID 82994875
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
5-(1,3-diphenylbutyl)-2-phenylmethoxybenzoic acid
CID 139749479
5-[(2S)-1-methoxypropan-2-yl]oxy-2-phenylmethoxybenzoic acid
CID 67487058
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684

Frequently Asked Questions

What is the IUPAC name of 5-(nitrosomethyl)-2-phenylmethoxybenzoic acid?
The IUPAC name of 5-(nitrosomethyl)-2-phenylmethoxybenzoic acid (CID 57013036) is 5-(nitrosomethyl)-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 5-(nitrosomethyl)-2-phenylmethoxybenzoic acid?
The canonical SMILES for 5-(nitrosomethyl)-2-phenylmethoxybenzoic acid is O=NCc1ccc(OCc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-(nitrosomethyl)-2-phenylmethoxybenzoic acid?
The InChIKey is BGQOPYLATFCTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-15(18)13-8-12(9-16-19)6-7-14(13)20-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18).
What are the key properties of 5-(nitrosomethyl)-2-phenylmethoxybenzoic acid?
5-(nitrosomethyl)-2-phenylmethoxybenzoic acid has a molecular weight of 271.27 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(nitrosomethyl)-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 57013036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).