1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol

C18H25NO2 — CID 70566523

IUPAC1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol
SMILESCc1c(CC(C)O)c(CC(C)O)c(C)n1-c1ccccc1
InChIInChI=1S/C18H25NO2/c1-12(20)10-17-14(3)19(16-8-6-5-7-9-16)15(4)18(17)11-13(2)21/h5-9,12-13,20-21H,10-11H2,1-4H3
InChIKeyLNWVIJVBSVAYTN-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.94
Rot. Bonds5

About 1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol

1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol (PubChem CID 70566523) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol
PubChem CID70566523
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol
SMILESCc1c(CC(C)O)c(CC(C)O)c(C)n1-c1ccccc1
InChIInChI=1S/C18H25NO2/c1-12(20)10-17-14(3)19(16-8-6-5-7-9-16)15(4)18(17)11-13(2)21/h5-9,12-13,20-21H,10-11H2,1-4H3
InChIKeyLNWVIJVBSVAYTN-UHFFFAOYSA-N
XLogP2.94
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol?
The IUPAC name of 1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol (CID 70566523) is 1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol is Cc1c(CC(C)O)c(CC(C)O)c(C)n1-c1ccccc1.
What is the InChIKey of 1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol?
The InChIKey is LNWVIJVBSVAYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12(20)10-17-14(3)19(16-8-6-5-7-9-16)15(4)18(17)11-13(2)21/h5-9,12-13,20-21H,10-11H2,1-4H3.
What are the key properties of 1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol?
1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol has a molecular weight of 287.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol is sourced from PubChem (CID 70566523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).