methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C13H16O3 — CID 12725569

IUPACmethyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2c(c(C)c1O)CCCC2
InChIInChI=1S/C13H16O3/c1-8-10-6-4-3-5-9(10)7-11(12(8)14)13(15)16-2/h7,14H,3-6H2,1-2H3
InChIKeyUBACLWSJAWHXAU-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.37
Rot. Bonds1

About methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate

methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 12725569) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID12725569
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2c(c(C)c1O)CCCC2
InChIInChI=1S/C13H16O3/c1-8-10-6-4-3-5-9(10)7-11(12(8)14)13(15)16-2/h7,14H,3-6H2,1-2H3
InChIKeyUBACLWSJAWHXAU-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 84674999
methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13126292
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
3-ethoxycarbonyl-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 46741372
methyl 3-chloro-2-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate
CID 171787690
methyl 3-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;methyl 3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 160683449
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 71302068
methyl 3-acetyloxy-4-nitro-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 540559
diethyl 3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene-2,4-dicarboxylate
CID 102151340
methyl 3-acetyl-2-hydroxy-4,5-dimethylbenzoate
CID 165349168
methyl bicyclo[8.2.2]tetradeca-1(12),10,13-triene-11-carboxylate
CID 14957120

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 12725569) is methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate is COC(=O)c1cc2c(c(C)c1O)CCCC2.
What is the InChIKey of methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is UBACLWSJAWHXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8-10-6-4-3-5-9(10)7-11(12(8)14)13(15)16-2/h7,14H,3-6H2,1-2H3.
What are the key properties of methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 12725569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).