benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate

C24H20O3 — CID 71485308

IUPACbenzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate
SMILESCCc1c(-c2ccc3ccccc3c2)coc1C(=O)OCc1ccccc1
InChIInChI=1S/C24H20O3/c1-2-21-22(20-13-12-18-10-6-7-11-19(18)14-20)16-26-23(21)24(25)27-15-17-8-4-3-5-9-17/h3-14,16H,2,15H2,1H3
InChIKeyWQXWQMRUWCWBTN-UHFFFAOYSA-N
MW356.42 g/mol
LogP6.02
Rot. Bonds5

About benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate

benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate (PubChem CID 71485308) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate
PubChem CID71485308
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Namebenzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate
SMILESCCc1c(-c2ccc3ccccc3c2)coc1C(=O)OCc1ccccc1
InChIInChI=1S/C24H20O3/c1-2-21-22(20-13-12-18-10-6-7-11-19(18)14-20)16-26-23(21)24(25)27-15-17-8-4-3-5-9-17/h3-14,16H,2,15H2,1H3
InChIKeyWQXWQMRUWCWBTN-UHFFFAOYSA-N
XLogP6.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Furan-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 270482
2-(2-Furanyl)-4H-naphtho(1,2-b)pyran-4-one
CID 755079
(E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-yl]-acrylic acid
CID 11416475
2-Furoic acid, 2-naphthyl ester
CID 532723
Naphthalen-1-yl furan-2-carboxylate
CID 565213
Isotanshinone I
CID 623940
5-(Naphthalen-1-yl)furan-2-carbaldehyde
CID 13696368
2-(3,4-Dimethylphenyl)-2-oxoethyl 2-furoate
CID 882227
2-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 6091921
2-(4-Ethylphenyl)-2-oxoethyl 2-furoate
CID 7027628
[1-(1-Oxoisochromen-3-yl)cyclohexyl] furan-2-carboxylate
CID 44142579
Naphtho(2,3-b)furan, 9-methoxy-3,4,5-trimethyl-
CID 3084982

Frequently Asked Questions

What is the IUPAC name of benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate?
The IUPAC name of benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate (CID 71485308) is benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate.
What is the SMILES notation for benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate?
The canonical SMILES for benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate is CCc1c(-c2ccc3ccccc3c2)coc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate?
The InChIKey is WQXWQMRUWCWBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-2-21-22(20-13-12-18-10-6-7-11-19(18)14-20)16-26-23(21)24(25)27-15-17-8-4-3-5-9-17/h3-14,16H,2,15H2,1H3.
What are the key properties of benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate?
benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-ethyl-4-naphthalen-2-ylfuran-2-carboxylate is sourced from PubChem (CID 71485308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).