methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate

C14H18O3 — CID 105494456

IUPACmethyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)C1CCc2c(O)cccc2C1
InChIInChI=1S/C14H18O3/c1-9(14(16)17-2)10-6-7-12-11(8-10)4-3-5-13(12)15/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyRRAIPLHTXUGMRY-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.31
Rot. Bonds2

About methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate

methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate (PubChem CID 105494456) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
PubChem CID105494456
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namemethyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)C1CCc2c(O)cccc2C1
InChIInChI=1S/C14H18O3/c1-9(14(16)17-2)10-6-7-12-11(8-10)4-3-5-13(12)15/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyRRAIPLHTXUGMRY-UHFFFAOYSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate 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

Enterolactone
CID 114739
Triptophenolide
CID 173273
Podocarpic Acid
CID 93017
(3R,4R)-3,4-bis((3-hydroxyphenyl)methyl)oxolan-2-one
CID 10685477
2,3-Bis(3'-hydroxybenzyl)butyrolactone
CID 123917
O-Desmethylnaproxen
CID 13393711
18-Oxoferruginol
CID 52946772
Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester
CID 78805
3-(2-Hydroxy-1-naphthyl)propanoic acid
CID 9149737
Podocarpa-8,11,13-trien-16-oic acid, 12-hydroxy-
CID 220357
methyl (1R,4aS,10aR)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 14132237
Hydroxy calamenene
CID 24970829

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The IUPAC name of methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate (CID 105494456) is methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate is COC(=O)C(C)C1CCc2c(O)cccc2C1.
What is the InChIKey of methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The InChIKey is RRAIPLHTXUGMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(14(16)17-2)10-6-7-12-11(8-10)4-3-5-13(12)15/h3-5,9-10,15H,6-8H2,1-2H3.
What are the key properties of methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate has a molecular weight of 234.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate is sourced from PubChem (CID 105494456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).