1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol

C16H25NO3 — CID 22401530

IUPAC1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESCOc1cccc(C(O)CN2CCCC2)c1OC(C)C
InChIInChI=1S/C16H25NO3/c1-12(2)20-16-13(7-6-8-15(16)19-3)14(18)11-17-9-4-5-10-17/h6-8,12,14,18H,4-5,9-11H2,1-3H3
InChIKeyRQNXOOVNZVAJPR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds6

About 1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol

1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 22401530) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol
PubChem CID22401530
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESCOc1cccc(C(O)CN2CCCC2)c1OC(C)C
InChIInChI=1S/C16H25NO3/c1-12(2)20-16-13(7-6-8-15(16)19-3)14(18)11-17-9-4-5-10-17/h6-8,12,14,18H,4-5,9-11H2,1-3H3
InChIKeyRQNXOOVNZVAJPR-UHFFFAOYSA-N
XLogP2.61
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165717
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
CID 117352972
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82122257
2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol
CID 62231982
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848176
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
(1S,2R)-1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 122470872
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
2-[[1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043452
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol (CID 22401530) is 1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol is COc1cccc(C(O)CN2CCCC2)c1OC(C)C.
What is the InChIKey of 1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is RQNXOOVNZVAJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(2)20-16-13(7-6-8-15(16)19-3)14(18)11-17-9-4-5-10-17/h6-8,12,14,18H,4-5,9-11H2,1-3H3.
What are the key properties of 1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol?
1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 279.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 22401530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).