[3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol

C15H23NO3 — CID 107743674

IUPAC[3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol
SMILESC=C(CNC(C)C)COc1ccc(CO)cc1OC
InChIInChI=1S/C15H23NO3/c1-11(2)16-8-12(3)10-19-14-6-5-13(9-17)7-15(14)18-4/h5-7,11,16-17H,3,8-10H2,1-2,4H3
InChIKeyIOHIHICHMIEDDI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.12
Rot. Bonds8

About [3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol

[3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol (PubChem CID 107743674) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol
PubChem CID107743674
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol
SMILESC=C(CNC(C)C)COc1ccc(CO)cc1OC
InChIInChI=1S/C15H23NO3/c1-11(2)16-8-12(3)10-19-14-6-5-13(9-17)7-15(14)18-4/h5-7,11,16-17H,3,8-10H2,1-2,4H3
InChIKeyIOHIHICHMIEDDI-UHFFFAOYSA-N
XLogP2.12
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid
CID 107742387
N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide
CID 3903060
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039492
N-[[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 60881885
2-[(2-chloro-5-fluorophenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 114264288
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
CID 55055291
2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 60882437
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107664454

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol?
The IUPAC name of [3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol (CID 107743674) is [3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol?
The canonical SMILES for [3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol is C=C(CNC(C)C)COc1ccc(CO)cc1OC.
What is the InChIKey of [3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol?
The InChIKey is IOHIHICHMIEDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)16-8-12(3)10-19-14-6-5-13(9-17)7-15(14)18-4/h5-7,11,16-17H,3,8-10H2,1-2,4H3.
What are the key properties of [3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol?
[3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol has a molecular weight of 265.35 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol is sourced from PubChem (CID 107743674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).