methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate

C13H15ClO4 — CID 117429650

IUPACmethyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc2c(c(Cl)c1O)CCCC2
InChIInChI=1S/C13H15ClO4/c1-18-13(17)12(16)9-6-7-4-2-3-5-8(7)10(14)11(9)15/h6,12,15-16H,2-5H2,1H3
InChIKeyIEGARBPFLIYIRT-UHFFFAOYSA-N
MW270.71 g/mol
LogP2.13
Rot. Bonds2

About methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate

methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate (PubChem CID 117429650) has the molecular formula C13H15ClO4 and a molecular weight of 270.71 g/mol. Its IUPAC name is methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
PubChem CID117429650
Molecular FormulaC13H15ClO4
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Namemethyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc2c(c(Cl)c1O)CCCC2
InChIInChI=1S/C13H15ClO4/c1-18-13(17)12(16)9-6-7-4-2-3-5-8(7)10(14)11(9)15/h6,12,15-16H,2-5H2,1H3
InChIKeyIEGARBPFLIYIRT-UHFFFAOYSA-N
XLogP2.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)acetate
CID 117378924
2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117354065
methyl 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-hydroxyacetate
CID 117458807
1-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethanone
CID 84700903
methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117449915
2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanoic acid
CID 117454483
1-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-(methylamino)ethanol
CID 117456563
3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117352189
2-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117390078
ethyl 2-hydroxy-2-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 117449891
methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 12725569
methyl 2-(2-chloro-3,4-dihydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117369055

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate (CID 117429650) is methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate is COC(=O)C(O)c1cc2c(c(Cl)c1O)CCCC2.
What is the InChIKey of methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate?
The InChIKey is IEGARBPFLIYIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO4/c1-18-13(17)12(16)9-6-7-4-2-3-5-8(7)10(14)11(9)15/h6,12,15-16H,2-5H2,1H3.
What are the key properties of methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate?
methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate has a molecular weight of 270.71 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate is sourced from PubChem (CID 117429650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).