cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol

C17H21NO2 — CID 79104504

IUPACcyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol
SMILESCOc1ccc(CCn2ccc(C(O)C3CC3)c2)cc1
InChIInChI=1S/C17H21NO2/c1-20-16-6-2-13(3-7-16)8-10-18-11-9-15(12-18)17(19)14-4-5-14/h2-3,6-7,9,11-12,14,17,19H,4-5,8,10H2,1H3
InChIKeyPXLVJWODZBGJLT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.18
Rot. Bonds6

About cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol

cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol (PubChem CID 79104504) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol
PubChem CID79104504
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namecyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol
SMILESCOc1ccc(CCn2ccc(C(O)C3CC3)c2)cc1
InChIInChI=1S/C17H21NO2/c1-20-16-6-2-13(3-7-16)8-10-18-11-9-15(12-18)17(19)14-4-5-14/h2-3,6-7,9,11-12,14,17,19H,4-5,8,10H2,1H3
InChIKeyPXLVJWODZBGJLT-UHFFFAOYSA-N
XLogP3.18
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
cyclopropyl-(1-propylpyrrol-3-yl)methanol
CID 79097754
cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 6482546
1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone
CID 79106081
methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate
CID 79104073
N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405569
cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
CID 79103537
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
4-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-2,2-dimethylbutanenitrile
CID 79097756
3-(4-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)propan-1-ol
CID 65445692
cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol
CID 79103372
1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097108

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol (CID 79104504) is cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol is COc1ccc(CCn2ccc(C(O)C3CC3)c2)cc1.
What is the InChIKey of cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol?
The InChIKey is PXLVJWODZBGJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-20-16-6-2-13(3-7-16)8-10-18-11-9-15(12-18)17(19)14-4-5-14/h2-3,6-7,9,11-12,14,17,19H,4-5,8,10H2,1H3.
What are the key properties of cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol?
cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 79104504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).