(1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol

C14H17NO — CID 57205841

IUPAC(1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol
SMILESCC(C)c1ccn(-c2ccccc2)c1CO
InChIInChI=1S/C14H17NO/c1-11(2)13-8-9-15(14(13)10-16)12-6-4-3-5-7-12/h3-9,11,16H,10H2,1-2H3
InChIKeyWDHYZECAUXDZKL-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.09
Rot. Bonds3

About (1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol

(1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol (PubChem CID 57205841) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol.

Molecular Properties

Compound Name(1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol
PubChem CID57205841
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol
SMILESCC(C)c1ccn(-c2ccccc2)c1CO
InChIInChI=1S/C14H17NO/c1-11(2)13-8-9-15(14(13)10-16)12-6-4-3-5-7-12/h3-9,11,16H,10H2,1-2H3
InChIKeyWDHYZECAUXDZKL-UHFFFAOYSA-N
XLogP3.09
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-1-phenylpyridin-2-one
CID 18698767
[3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol
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CID 82362543
2-methyl-1-phenylpyrrol-3-ol
CID 5324689
3-methyl-1-phenylpyrimidine-2,4-dione
CID 14566646
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 87016991
1-ethyl-2-phenyl-3-propan-2-ylpyrrole
CID 1270769
[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395785
[5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 83152356
3-chloro-2-(2-propan-2-ylphenyl)propan-1-ol
CID 177455264
(3-propan-2-ylnaphthalen-2-yl)methanol
CID 118520230
1-(4-methylphenyl)-2-propan-2-ylpyrrole
CID 67473616

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol?
The IUPAC name of (1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol (CID 57205841) is (1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol.
What is the SMILES notation for (1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol?
The canonical SMILES for (1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol is CC(C)c1ccn(-c2ccccc2)c1CO.
What is the InChIKey of (1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol?
The InChIKey is WDHYZECAUXDZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(2)13-8-9-15(14(13)10-16)12-6-4-3-5-7-12/h3-9,11,16H,10H2,1-2H3.
What are the key properties of (1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol?
(1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol has a molecular weight of 215.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol is sourced from PubChem (CID 57205841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).