ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate

C14H16O3 — CID 142632126

IUPACethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1=C(O)CC(C)c2ccccc21
InChIInChI=1S/C14H16O3/c1-3-17-14(16)13-11-7-5-4-6-10(11)9(2)8-12(13)15/h4-7,9,15H,3,8H2,1-2H3
InChIKeyLNYIHTKIHSNYKP-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.03
Rot. Bonds2

About ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate

ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate (PubChem CID 142632126) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate
PubChem CID142632126
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1=C(O)CC(C)c2ccccc21
InChIInChI=1S/C14H16O3/c1-3-17-14(16)13-11-7-5-4-6-10(11)9(2)8-12(13)15/h4-7,9,15H,3,8H2,1-2H3
InChIKeyLNYIHTKIHSNYKP-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate (CID 142632126) is ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate is CCOC(=O)C1=C(O)CC(C)c2ccccc21.
What is the InChIKey of ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate?
The InChIKey is LNYIHTKIHSNYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-17-14(16)13-11-7-5-4-6-10(11)9(2)8-12(13)15/h4-7,9,15H,3,8H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate?
ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate is sourced from PubChem (CID 142632126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).