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

C14H18O3 — CID 101133298

IUPACmethyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
SMILESCOC(=O)CCC1Cc2ccccc2C(O)C1
InChIInChI=1S/C14H18O3/c1-17-14(16)7-6-10-8-11-4-2-3-5-12(11)13(15)9-10/h2-5,10,13,15H,6-9H2,1H3
InChIKeyKSYQKBUNGIESPE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.24
Rot. Bonds3

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

methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate (PubChem CID 101133298) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
PubChem CID101133298
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namemethyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
SMILESCOC(=O)CCC1Cc2ccccc2C(O)C1
InChIInChI=1S/C14H18O3/c1-17-14(16)7-6-10-8-11-4-2-3-5-12(11)13(15)9-10/h2-5,10,13,15H,6-9H2,1H3
InChIKeyKSYQKBUNGIESPE-UHFFFAOYSA-N
XLogP2.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The IUPAC name of methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate (CID 101133298) is methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate is COC(=O)CCC1Cc2ccccc2C(O)C1.
What is the InChIKey of methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The InChIKey is KSYQKBUNGIESPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-17-14(16)7-6-10-8-11-4-2-3-5-12(11)13(15)9-10/h2-5,10,13,15H,6-9H2,1H3.
What are the key properties of methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate has a molecular weight of 234.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate is sourced from PubChem (CID 101133298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).