2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol

C16H25NO3 — CID 117448315

IUPAC2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol
SMILESCOc1ccc(C(C)(C)CO)cc1OC1CCN(C)C1
InChIInChI=1S/C16H25NO3/c1-16(2,11-18)12-5-6-14(19-4)15(9-12)20-13-7-8-17(3)10-13/h5-6,9,13,18H,7-8,10-11H2,1-4H3
InChIKeyRIVDDFJLGLMUIQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.05
Rot. Bonds5

About 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol

2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol (PubChem CID 117448315) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol
PubChem CID117448315
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol
SMILESCOc1ccc(C(C)(C)CO)cc1OC1CCN(C)C1
InChIInChI=1S/C16H25NO3/c1-16(2,11-18)12-5-6-14(19-4)15(9-12)20-13-7-8-17(3)10-13/h5-6,9,13,18H,7-8,10-11H2,1-4H3
InChIKeyRIVDDFJLGLMUIQ-UHFFFAOYSA-N
XLogP2.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine
CID 117415768
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]-3-methylbutanoic acid
CID 117473397
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2,2-dimethylpropanoic acid
CID 117492369
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid
CID 117447790
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
CID 117448362
3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117446285
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117450060
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117489868
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol (CID 117448315) is 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol is COc1ccc(C(C)(C)CO)cc1OC1CCN(C)C1.
What is the InChIKey of 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol?
The InChIKey is RIVDDFJLGLMUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,11-18)12-5-6-14(19-4)15(9-12)20-13-7-8-17(3)10-13/h5-6,9,13,18H,7-8,10-11H2,1-4H3.
What are the key properties of 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol?
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117448315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).