methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate

C17H24O4 — CID 115511103

IUPACmethyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate
SMILESCOC(=O)C(C(C)C)C1(O)CCc2ccc(OC)cc2C1
InChIInChI=1S/C17H24O4/c1-11(2)15(16(18)21-4)17(19)8-7-12-5-6-14(20-3)9-13(12)10-17/h5-6,9,11,15,19H,7-8,10H2,1-4H3
InChIKeyUGAJSRIXRXFQBT-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.36
Rot. Bonds4

About methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate

methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate (PubChem CID 115511103) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate
PubChem CID115511103
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namemethyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate
SMILESCOC(=O)C(C(C)C)C1(O)CCc2ccc(OC)cc2C1
InChIInChI=1S/C17H24O4/c1-11(2)15(16(18)21-4)17(19)8-7-12-5-6-14(20-3)9-13(12)10-17/h5-6,9,11,15,19H,7-8,10H2,1-4H3
InChIKeyUGAJSRIXRXFQBT-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510759
2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510770
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510793
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)pentanenitrile
CID 115511263
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510904
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
methyl 2-[2-(1-aminopropyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 115511242
methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate
CID 54220007
2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510779
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol
CID 83177752

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate?
The IUPAC name of methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate (CID 115511103) is methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate.
What is the SMILES notation for methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate?
The canonical SMILES for methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate is COC(=O)C(C(C)C)C1(O)CCc2ccc(OC)cc2C1.
What is the InChIKey of methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate?
The InChIKey is UGAJSRIXRXFQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-11(2)15(16(18)21-4)17(19)8-7-12-5-6-14(20-3)9-13(12)10-17/h5-6,9,11,15,19H,7-8,10H2,1-4H3.
What are the key properties of methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate?
methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate has a molecular weight of 292.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate is sourced from PubChem (CID 115511103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).