[5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol

C18H17NO2 — CID 91597093

IUPAC[5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(C(O)c2ccccc2)[nH]1
InChIInChI=1S/C18H17NO2/c20-17(13-7-3-1-4-8-13)15-11-12-16(19-15)18(21)14-9-5-2-6-10-14/h1-12,17-21H
InChIKeyGNRZTXFCMNZMCP-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.18
Rot. Bonds4

About [5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol

[5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol (PubChem CID 91597093) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol
PubChem CID91597093
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name[5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(C(O)c2ccccc2)[nH]1
InChIInChI=1S/C18H17NO2/c20-17(13-7-3-1-4-8-13)15-11-12-16(19-15)18(21)14-9-5-2-6-10-14/h1-12,17-21H
InChIKeyGNRZTXFCMNZMCP-UHFFFAOYSA-N
XLogP3.18
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol?
The IUPAC name of [5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol (CID 91597093) is [5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol.
What is the SMILES notation for [5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol?
The canonical SMILES for [5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol is OC(c1ccccc1)c1ccc(C(O)c2ccccc2)[nH]1.
What is the InChIKey of [5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol?
The InChIKey is GNRZTXFCMNZMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-17(13-7-3-1-4-8-13)15-11-12-16(19-15)18(21)14-9-5-2-6-10-14/h1-12,17-21H.
What are the key properties of [5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol?
[5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol has a molecular weight of 279.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[hydroxy(phenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanol is sourced from PubChem (CID 91597093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).