methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate

C12H13ClO5 — CID 42573597

IUPACmethyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1c(Cl)cc(C=O)cc1OC
InChIInChI=1S/C12H13ClO5/c1-7(12(15)17-3)18-11-9(13)4-8(6-14)5-10(11)16-2/h4-7H,1-3H3/t7-/m1/s1
InChIKeyVKHCUKYIXQSTII-SSDOTTSWSA-N
MW272.68 g/mol
LogP2.10
Rot. Bonds5

About methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate

methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate (PubChem CID 42573597) has the molecular formula C12H13ClO5 and a molecular weight of 272.68 g/mol. Its IUPAC name is methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
PubChem CID42573597
Molecular FormulaC12H13ClO5
Molecular Weight272.68 g/mol
Exact Mass272.05
IUPAC Namemethyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1c(Cl)cc(C=O)cc1OC
InChIInChI=1S/C12H13ClO5/c1-7(12(15)17-3)18-11-9(13)4-8(6-14)5-10(11)16-2/h4-7H,1-3H3/t7-/m1/s1
InChIKeyVKHCUKYIXQSTII-SSDOTTSWSA-N
XLogP2.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide
CID 43117158
methyl 2-(2-chloro-4-formyl-6-nitrophenoxy)propanoate
CID 86664208
ethyl 2-(2-chloro-4-formyl-6-methoxyphenoxy)butanoate
CID 64662755
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 62625897
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoic acid
CID 4763755
methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate
CID 104667066
3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde
CID 167716711
3-chloro-5-methoxy-4-[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 82037921
methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate
CID 103338197
3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde
CID 82037918

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate (CID 42573597) is methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate is COC(=O)[C@@H](C)Oc1c(Cl)cc(C=O)cc1OC.
What is the InChIKey of methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate?
The InChIKey is VKHCUKYIXQSTII-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13ClO5/c1-7(12(15)17-3)18-11-9(13)4-8(6-14)5-10(11)16-2/h4-7H,1-3H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate?
methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate has a molecular weight of 272.68 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate is sourced from PubChem (CID 42573597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).