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

C16H21NO — CID 63926891

IUPAC(2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1cccc(C(O)c2[nH]c(C)c(C)c2C)c1C
InChIInChI=1S/C16H21NO/c1-9-7-6-8-14(10(9)2)16(18)15-12(4)11(3)13(5)17-15/h6-8,16-18H,1-5H3
InChIKeyVOAOEBSNYRVMLH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.64
Rot. Bonds2

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

(2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (PubChem CID 63926891) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
PubChem CID63926891
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1cccc(C(O)c2[nH]c(C)c(C)c2C)c1C
InChIInChI=1S/C16H21NO/c1-9-7-6-8-14(10(9)2)16(18)15-12(4)11(3)13(5)17-15/h6-8,16-18H,1-5H3
InChIKeyVOAOEBSNYRVMLH-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

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Related Compounds

(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63926479
(2,3-dimethylphenyl)-(5-methylfuran-2-yl)methanol
CID 63894230
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1-(2,3-dimethylphenyl)-2-methylsulfonylethanol
CID 115601467
(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
(2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate
CID 7046910
1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63928114
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
(4R,7S)-2,9-bis(2,3-dimethylphenyl)-3,4,7,8-tetrahydroxydecane-5,6-dione
CID 54403518

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of (2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (CID 63926891) is (2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for (2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is Cc1cccc(C(O)c2[nH]c(C)c(C)c2C)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The InChIKey is VOAOEBSNYRVMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-9-7-6-8-14(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 (2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
(2,3-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 (2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 63926891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).