2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate

C19H18O5 — CID 8744287

IUPAC2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate
SMILESCOc1ccc(OCCOC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C19H18O5/c1-21-16-6-8-17(9-7-16)22-10-11-23-19(20)15-12-14-4-2-3-5-18(14)24-13-15/h2-9,12H,10-11,13H2,1H3
InChIKeyPNPMVPOTRHSQMP-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.09
Rot. Bonds6

About 2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate

2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate (PubChem CID 8744287) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate
PubChem CID8744287
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate
SMILESCOc1ccc(OCCOC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C19H18O5/c1-21-16-6-8-17(9-7-16)22-10-11-23-19(20)15-12-14-4-2-3-5-18(14)24-13-15/h2-9,12H,10-11,13H2,1H3
InChIKeyPNPMVPOTRHSQMP-UHFFFAOYSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate (CID 8744287) is 2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate is COc1ccc(OCCOC(=O)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate?
The InChIKey is PNPMVPOTRHSQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-21-16-6-8-17(9-7-16)22-10-11-23-19(20)15-12-14-4-2-3-5-18(14)24-13-15/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate?
2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate is sourced from PubChem (CID 8744287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).