1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol

C16H20ClNO — CID 90847915

IUPAC1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
SMILESCCC1(C(c2ccc(Cl)cc2)C(C)(C)O)C=CC=N1
InChIInChI=1S/C16H20ClNO/c1-4-16(10-5-11-18-16)14(15(2,3)19)12-6-8-13(17)9-7-12/h5-11,14,19H,4H2,1-3H3
InChIKeyURZVQKDZTVCYBE-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.98
Rot. Bonds4

About 1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol

1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol (PubChem CID 90847915) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
PubChem CID90847915
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
SMILESCCC1(C(c2ccc(Cl)cc2)C(C)(C)O)C=CC=N1
InChIInChI=1S/C16H20ClNO/c1-4-16(10-5-11-18-16)14(15(2,3)19)12-6-8-13(17)9-7-12/h5-11,14,19H,4H2,1-3H3
InChIKeyURZVQKDZTVCYBE-UHFFFAOYSA-N
XLogP3.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Clobutinol
CID 26937
1-(1-(4-Chlorophenyl)-2-(dimethylamino)ethyl)cyclohexanol
CID 13520310
(2R,3R)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
CID 76971912
1-(2,4-Difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 91526392
1-[2-(1-Phenylethyl)pyrrol-2-yl]cyclopentan-1-ol
CID 57031362
2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588563
(2S,3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
CID 76971914
(2S,3R)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
CID 76971916
(2R,3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
CID 76971918
1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
CID 124385408
1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
CID 124385409
(3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
CID 155903707

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol (CID 90847915) is 1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol is CCC1(C(c2ccc(Cl)cc2)C(C)(C)O)C=CC=N1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol?
The InChIKey is URZVQKDZTVCYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-4-16(10-5-11-18-16)14(15(2,3)19)12-6-8-13(17)9-7-12/h5-11,14,19H,4H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol?
1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol has a molecular weight of 277.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 90847915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).