2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol

C15H21NO3 — CID 100717167

IUPAC2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol
SMILESC=CCO[C@@H]1CCN(Cc2ccc(O)c(OC)c2)C1
InChIInChI=1S/C15H21NO3/c1-3-8-19-13-6-7-16(11-13)10-12-4-5-14(17)15(9-12)18-2/h3-5,9,13,17H,1,6-8,10-11H2,2H3/t13-/m1/s1
InChIKeyQCFODSKTFQSAOR-CYBMUJFWSA-N
MW263.34 g/mol
LogP2.18
Rot. Bonds6

About 2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol

2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol (PubChem CID 100717167) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol
PubChem CID100717167
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol
SMILESC=CCO[C@@H]1CCN(Cc2ccc(O)c(OC)c2)C1
InChIInChI=1S/C15H21NO3/c1-3-8-19-13-6-7-16(11-13)10-12-4-5-14(17)15(9-12)18-2/h3-5,9,13,17H,1,6-8,10-11H2,2H3/t13-/m1/s1
InChIKeyQCFODSKTFQSAOR-CYBMUJFWSA-N
XLogP2.18
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
CID 82981625
2-methoxy-4-[[(3R)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenol
CID 125179004
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980162
1-[1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968570
3,3,3-trifluoro-N-[(3R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 100717220
1-[(3S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95888911
4-[(3-methoxypyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 103542210
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82982082
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol (CID 100717167) is 2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol is C=CCO[C@@H]1CCN(Cc2ccc(O)c(OC)c2)C1.
What is the InChIKey of 2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol?
The InChIKey is QCFODSKTFQSAOR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-8-19-13-6-7-16(11-13)10-12-4-5-14(17)15(9-12)18-2/h3-5,9,13,17H,1,6-8,10-11H2,2H3/t13-/m1/s1.
What are the key properties of 2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol?
2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol has a molecular weight of 263.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 100717167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).