5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid

C17H13NO3 — CID 146350301

IUPAC5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2Oc2ccccc2)[nH]1
InChIInChI=1S/C17H13NO3/c19-17(20)15-11-10-14(18-15)13-8-4-5-9-16(13)21-12-6-2-1-3-7-12/h1-11,18H,(H,19,20)
InChIKeyMYRCWGFWHGEIMJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.17
Rot. Bonds4

About 5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid

5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 146350301) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID146350301
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2Oc2ccccc2)[nH]1
InChIInChI=1S/C17H13NO3/c19-17(20)15-11-10-14(18-15)13-8-4-5-9-16(13)21-12-6-2-1-3-7-12/h1-11,18H,(H,19,20)
InChIKeyMYRCWGFWHGEIMJ-UHFFFAOYSA-N
XLogP4.17
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 22507236
4-phenoxy-1H-indole-2-carboxylic acid
CID 59600239
2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole
CID 102187250
1,3-bis[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]propane-1,3-dione
CID 102394420
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
6-chloro-4-phenoxy-1H-indole-2-carboxylic acid
CID 135358549
2-iodo-6-phenoxybenzoic acid
CID 139966933
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide
CID 167363578
phenyl 2-phenoxybenzoate
CID 2471273
3,4-diphenoxybenzoic acid
CID 70590459
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid (CID 146350301) is 5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2Oc2ccccc2)[nH]1.
What is the InChIKey of 5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is MYRCWGFWHGEIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-17(20)15-11-10-14(18-15)13-8-4-5-9-16(13)21-12-6-2-1-3-7-12/h1-11,18H,(H,19,20).
What are the key properties of 5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid?
5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 146350301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).