methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate

C17H24O4 — CID 79304285

IUPACmethyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate
SMILESCOC(=O)C(O)(C(C)C)C1CCCc2cc(OC)ccc21
InChIInChI=1S/C17H24O4/c1-11(2)17(19,16(18)21-4)15-7-5-6-12-10-13(20-3)8-9-14(12)15/h8-11,15,19H,5-7H2,1-4H3
InChIKeyDPCVDCKEOVBCPY-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.68
Rot. Bonds4

About methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate

methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate (PubChem CID 79304285) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate
PubChem CID79304285
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namemethyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate
SMILESCOC(=O)C(O)(C(C)C)C1CCCc2cc(OC)ccc21
InChIInChI=1S/C17H24O4/c1-11(2)17(19,16(18)21-4)15-7-5-6-12-10-13(20-3)8-9-14(12)15/h8-11,15,19H,5-7H2,1-4H3
InChIKeyDPCVDCKEOVBCPY-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate with MolForge

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Related Compounds

(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-sulfonamide
CID 115000583
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
N-ethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 43574212
(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate
CID 58030996
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid
CID 122128129
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate?
The IUPAC name of methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate (CID 79304285) is methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate.
What is the SMILES notation for methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate?
The canonical SMILES for methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate is COC(=O)C(O)(C(C)C)C1CCCc2cc(OC)ccc21.
What is the InChIKey of methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate?
The InChIKey is DPCVDCKEOVBCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-11(2)17(19,16(18)21-4)15-7-5-6-12-10-13(20-3)8-9-14(12)15/h8-11,15,19H,5-7H2,1-4H3.
What are the key properties of methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate?
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate has a molecular weight of 292.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbutanoate is sourced from PubChem (CID 79304285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).