2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide

C12H14ClNO4 — CID 79334777

IUPAC2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide
SMILESCOc1cc(C=CCO)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C12H14ClNO4/c1-17-10-6-8(3-2-4-15)5-9(13)12(10)18-7-11(14)16/h2-3,5-6,15H,4,7H2,1H3,(H2,14,16)
InChIKeyGLEQMCTXRILNKC-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.22
Rot. Bonds6

About 2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide

2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide (PubChem CID 79334777) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide
PubChem CID79334777
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide
SMILESCOc1cc(C=CCO)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C12H14ClNO4/c1-17-10-6-8(3-2-4-15)5-9(13)12(10)18-7-11(14)16/h2-3,5-6,15H,4,7H2,1H3,(H2,14,16)
InChIKeyGLEQMCTXRILNKC-UHFFFAOYSA-N
XLogP1.22
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide
CID 76997374
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
CID 79334314
2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide
CID 103092894
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
CID 44665968
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
CID 3717954
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 24651976
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-4-bromobenzamide
CID 126271574
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
(Z)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 2414113
3-(3-chloro-4,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 3980689

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide (CID 79334777) is 2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide is COc1cc(C=CCO)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide?
The InChIKey is GLEQMCTXRILNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-17-10-6-8(3-2-4-15)5-9(13)12(10)18-7-11(14)16/h2-3,5-6,15H,4,7H2,1H3,(H2,14,16).
What are the key properties of 2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide has a molecular weight of 271.70 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 79334777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).