(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol

C16H25NO3 — CID 82000959

IUPAC(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCCCN2CCCC2)c1
InChIInChI=1S/C16H25NO3/c1-13(18)15-7-6-14(19-2)12-16(15)20-11-5-10-17-8-3-4-9-17/h6-7,12-13,18H,3-5,8-11H2,1-2H3/t13-/m1/s1
InChIKeyKRVLGHNHGGCSII-CYBMUJFWSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds7

About (1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol

(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol (PubChem CID 82000959) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
PubChem CID82000959
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCCCN2CCCC2)c1
InChIInChI=1S/C16H25NO3/c1-13(18)15-7-6-14(19-2)12-16(15)20-11-5-10-17-8-3-4-9-17/h6-7,12-13,18H,3-5,8-11H2,1-2H3/t13-/m1/s1
InChIKeyKRVLGHNHGGCSII-CYBMUJFWSA-N
XLogP2.61
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63068202
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 107720623
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone
CID 82002837
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol (CID 82000959) is (1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol is COc1ccc([C@@H](C)O)c(OCCCN2CCCC2)c1.
What is the InChIKey of (1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The InChIKey is KRVLGHNHGGCSII-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(18)15-7-6-14(19-2)12-16(15)20-11-5-10-17-8-3-4-9-17/h6-7,12-13,18H,3-5,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol is sourced from PubChem (CID 82000959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).