methyl 2-(4-hydroxynaphthalen-2-yl)propanoate

C14H14O3 — CID 70591724

IUPACmethyl 2-(4-hydroxynaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)c1cc(O)c2ccccc2c1
InChIInChI=1S/C14H14O3/c1-9(14(16)17-2)11-7-10-5-3-4-6-12(10)13(15)8-11/h3-9,15H,1-2H3
InChIKeySKTSBQVZJNAHMG-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.82
Rot. Bonds2

About methyl 2-(4-hydroxynaphthalen-2-yl)propanoate

methyl 2-(4-hydroxynaphthalen-2-yl)propanoate (PubChem CID 70591724) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-(4-hydroxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxynaphthalen-2-yl)propanoate
PubChem CID70591724
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Namemethyl 2-(4-hydroxynaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)c1cc(O)c2ccccc2c1
InChIInChI=1S/C14H14O3/c1-9(14(16)17-2)11-7-10-5-3-4-6-12(10)13(15)8-11/h3-9,15H,1-2H3
InChIKeySKTSBQVZJNAHMG-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxynaphthalen-2-yl)propanoate?
The IUPAC name of methyl 2-(4-hydroxynaphthalen-2-yl)propanoate (CID 70591724) is methyl 2-(4-hydroxynaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 2-(4-hydroxynaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 2-(4-hydroxynaphthalen-2-yl)propanoate is COC(=O)C(C)c1cc(O)c2ccccc2c1.
What is the InChIKey of methyl 2-(4-hydroxynaphthalen-2-yl)propanoate?
The InChIKey is SKTSBQVZJNAHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9(14(16)17-2)11-7-10-5-3-4-6-12(10)13(15)8-11/h3-9,15H,1-2H3.
What are the key properties of methyl 2-(4-hydroxynaphthalen-2-yl)propanoate?
methyl 2-(4-hydroxynaphthalen-2-yl)propanoate has a molecular weight of 230.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 70591724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).