1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone

C12H17NO4 — CID 69027932

IUPAC1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone
SMILESCOc1cc(C(=O)CNC(C)CO)ccc1O
InChIInChI=1S/C12H17NO4/c1-8(7-14)13-6-11(16)9-3-4-10(15)12(5-9)17-2/h3-5,8,13-15H,6-7H2,1-2H3
InChIKeyJFTPYRRZNXOUQH-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.55
Rot. Bonds6

About 1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone

1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone (PubChem CID 69027932) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone
PubChem CID69027932
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone
SMILESCOc1cc(C(=O)CNC(C)CO)ccc1O
InChIInChI=1S/C12H17NO4/c1-8(7-14)13-6-11(16)9-3-4-10(15)12(5-9)17-2/h3-5,8,13-15H,6-7H2,1-2H3
InChIKeyJFTPYRRZNXOUQH-UHFFFAOYSA-N
XLogP0.55
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
1-(3,4-dihydroxyphenyl)-2-(1-methoxyethylamino)ethanone
CID 3026295
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
2-(butan-2-ylamino)-1-(3,4-diethoxyphenyl)ethanone
CID 116556276
(2S)-2-chloro-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 95423197
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]prop-2-enamide
CID 5321824
(2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 163102563
1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 86575310
2-(1-phenylpropan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanone;hydrobromide
CID 138398701

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone (CID 69027932) is 1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone is COc1cc(C(=O)CNC(C)CO)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone?
The InChIKey is JFTPYRRZNXOUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(7-14)13-6-11(16)9-3-4-10(15)12(5-9)17-2/h3-5,8,13-15H,6-7H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone?
1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone has a molecular weight of 239.27 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone is sourced from PubChem (CID 69027932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).