(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol

C14H17NO — CID 97293069

IUPAC(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol
SMILESCc1cc(C)cc([C@@H](O)c2cccn2C)c1
InChIInChI=1S/C14H17NO/c1-10-7-11(2)9-12(8-10)14(16)13-5-4-6-15(13)3/h4-9,14,16H,1-3H3/t14-/m1/s1
InChIKeyYPQCFLBXSWBGQR-CQSZACIVSA-N
MW215.30 g/mol
LogP2.72
Rot. Bonds2

About (R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol

(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol (PubChem CID 97293069) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol.

Molecular Properties

Compound Name(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol
PubChem CID97293069
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol
SMILESCc1cc(C)cc([C@@H](O)c2cccn2C)c1
InChIInChI=1S/C14H17NO/c1-10-7-11(2)9-12(8-10)14(16)13-5-4-6-15(13)3/h4-9,14,16H,1-3H3/t14-/m1/s1
InChIKeyYPQCFLBXSWBGQR-CQSZACIVSA-N
XLogP2.72
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293052
(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960732
(R)-(3-methoxyphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293101
2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
CID 14788370
methoxy-(1-methylpyrrol-2-yl)methanol
CID 45087864
3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol
CID 170829352
1-(1-methylpyrrol-2-yl)-3-sulfanylpropane-1,2-diol
CID 170821220
[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid
CID 130694036
1-(1-methylpyrrol-2-yl)ethanethiol
CID 170267001
(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol
CID 130718418
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920

Frequently Asked Questions

What is the IUPAC name of (R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol?
The IUPAC name of (R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol (CID 97293069) is (R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol.
What is the SMILES notation for (R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol?
The canonical SMILES for (R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol is Cc1cc(C)cc([C@@H](O)c2cccn2C)c1.
What is the InChIKey of (R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol?
The InChIKey is YPQCFLBXSWBGQR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-7-11(2)9-12(8-10)14(16)13-5-4-6-15(13)3/h4-9,14,16H,1-3H3/t14-/m1/s1.
What are the key properties of (R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol?
(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol has a molecular weight of 215.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol is sourced from PubChem (CID 97293069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).