(3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol

C13H15NO — CID 63749459

IUPAC(3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol
SMILESCc1ccc(C(O)c2cc[nH]c2)cc1C
InChIInChI=1S/C13H15NO/c1-9-3-4-11(7-10(9)2)13(15)12-5-6-14-8-12/h3-8,13-15H,1-2H3
InChIKeyJEUSDPFOSJPRFS-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.71
Rot. Bonds2

About (3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol

(3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol (PubChem CID 63749459) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol
PubChem CID63749459
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol
SMILESCc1ccc(C(O)c2cc[nH]c2)cc1C
InChIInChI=1S/C13H15NO/c1-9-3-4-11(7-10(9)2)13(15)12-5-6-14-8-12/h3-8,13-15H,1-2H3
InChIKeyJEUSDPFOSJPRFS-UHFFFAOYSA-N
XLogP2.71
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol
CID 63748931
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
2,3-dihydro-1H-inden-5-yl(1H-pyrrol-3-yl)methanol
CID 63749815
(R)-(3,4-dimethylphenyl)-(4-phenylphenyl)methanol
CID 100803935
[4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol
CID 55229452
(4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol
CID 63748924
(3,4-dimethylphenyl)-(1H-imidazol-2-yl)methanol
CID 112724089
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanol
CID 63426275
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63926479

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol (CID 63749459) is (3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol is Cc1ccc(C(O)c2cc[nH]c2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol?
The InChIKey is JEUSDPFOSJPRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-3-4-11(7-10(9)2)13(15)12-5-6-14-8-12/h3-8,13-15H,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol?
(3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol has a molecular weight of 201.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 63749459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).