[4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol

C25H23NO2 — CID 23025097

IUPAC[4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol
SMILESOCc1cn(Cc2ccc(OCc3ccccc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C25H23NO2/c27-18-23-16-26(17-25(23)22-9-5-2-6-10-22)15-20-11-13-24(14-12-20)28-19-21-7-3-1-4-8-21/h1-14,16-17,27H,15,18-19H2
InChIKeyVUKZXFRRDSWJHK-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.27
Rot. Bonds7

About [4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol

[4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol (PubChem CID 23025097) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is [4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol
PubChem CID23025097
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name[4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol
SMILESOCc1cn(Cc2ccc(OCc3ccccc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C25H23NO2/c27-18-23-16-26(17-25(23)22-9-5-2-6-10-22)15-20-11-13-24(14-12-20)28-19-21-7-3-1-4-8-21/h1-14,16-17,27H,15,18-19H2
InChIKeyVUKZXFRRDSWJHK-UHFFFAOYSA-N
XLogP5.27
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate
CID 23024961
3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole
CID 70123556
[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 69423063
1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole
CID 141148615
3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole
CID 141383099
phenoxymethylbenzene;2-phenylphenol
CID 159234068
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-[[4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrol-3-yl]methylidene]butanoic acid
CID 69423915
3-[4-phenyl-1-[[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoic acid
CID 69422677
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-[3-chloro-4-(4-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516053
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol (CID 23025097) is [4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol is OCc1cn(Cc2ccc(OCc3ccccc3)cc2)cc1-c1ccccc1.
What is the InChIKey of [4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol?
The InChIKey is VUKZXFRRDSWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c27-18-23-16-26(17-25(23)22-9-5-2-6-10-22)15-20-11-13-24(14-12-20)28-19-21-7-3-1-4-8-21/h1-14,16-17,27H,15,18-19H2.
What are the key properties of [4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol?
[4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol has a molecular weight of 369.46 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 23025097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).