ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate

C24H26O4 — CID 162522398

IUPACethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate
SMILESCCOC(=O)COc1ccc(Cc2ccc(O)c(C(C)C)c2)c2ccccc12
InChIInChI=1S/C24H26O4/c1-4-27-24(26)15-28-23-12-10-18(19-7-5-6-8-20(19)23)13-17-9-11-22(25)21(14-17)16(2)3/h5-12,14,16,25H,4,13,15H2,1-3H3
InChIKeyUJYDZKPGXSJOAN-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.20
Rot. Bonds7

About ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate

ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate (PubChem CID 162522398) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate
PubChem CID162522398
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Nameethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate
SMILESCCOC(=O)COc1ccc(Cc2ccc(O)c(C(C)C)c2)c2ccccc12
InChIInChI=1S/C24H26O4/c1-4-27-24(26)15-28-23-12-10-18(19-7-5-6-8-20(19)23)13-17-9-11-22(25)21(14-17)16(2)3/h5-12,14,16,25H,4,13,15H2,1-3H3
InChIKeyUJYDZKPGXSJOAN-UHFFFAOYSA-N
XLogP5.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate?
The IUPAC name of ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate (CID 162522398) is ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate?
The canonical SMILES for ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate is CCOC(=O)COc1ccc(Cc2ccc(O)c(C(C)C)c2)c2ccccc12.
What is the InChIKey of ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate?
The InChIKey is UJYDZKPGXSJOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-4-27-24(26)15-28-23-12-10-18(19-7-5-6-8-20(19)23)13-17-9-11-22(25)21(14-17)16(2)3/h5-12,14,16,25H,4,13,15H2,1-3H3.
What are the key properties of ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate?
ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate has a molecular weight of 378.47 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate is sourced from PubChem (CID 162522398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).