(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

C16H21NO — CID 63926479

IUPAC(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1ccc(C(O)c2[nH]c(C)c(C)c2C)cc1C
InChIInChI=1S/C16H21NO/c1-9-6-7-14(8-10(9)2)16(18)15-12(4)11(3)13(5)17-15/h6-8,16-18H,1-5H3
InChIKeyDXXFOZXRDUKZGV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.64
Rot. Bonds2

About (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (PubChem CID 63926479) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
PubChem CID63926479
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1ccc(C(O)c2[nH]c(C)c(C)c2C)cc1C
InChIInChI=1S/C16H21NO/c1-9-6-7-14(8-10(9)2)16(18)15-12(4)11(3)13(5)17-15/h6-8,16-18H,1-5H3
InChIKeyDXXFOZXRDUKZGV-UHFFFAOYSA-N
XLogP3.64
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927912
(4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63925666
furan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927081
(2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63926891
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol
CID 63749459
(5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63925271
(R)-(3,4-dimethylphenyl)-(4-phenylphenyl)methanol
CID 100803935
1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63928114
(3,4-dimethylphenyl)-(1H-imidazol-2-yl)methanol
CID 112724089

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (CID 63926479) is (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is Cc1ccc(C(O)c2[nH]c(C)c(C)c2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The InChIKey is DXXFOZXRDUKZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-9-6-7-14(8-10(9)2)16(18)15-12(4)11(3)13(5)17-15/h6-8,16-18H,1-5H3.
What are the key properties of (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol has a molecular weight of 243.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 63926479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).