ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate

C29H26O5 — CID 71489624

IUPACethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)oc(-c2ccc(C)cc2)c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C29H26O5/c1-5-33-29(31)25-24(26(30)20-10-6-18(2)7-11-20)27(21-12-8-19(3)9-13-21)34-28(25)22-14-16-23(32-4)17-15-22/h6-17H,5H2,1-4H3
InChIKeyMTVRFBREFOCSRA-UHFFFAOYSA-N
MW454.52 g/mol
LogP6.65
Rot. Bonds7

About ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate

ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate (PubChem CID 71489624) has the molecular formula C29H26O5 and a molecular weight of 454.52 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate
PubChem CID71489624
Molecular FormulaC29H26O5
Molecular Weight454.52 g/mol
Exact Mass454.18
IUPAC Nameethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)oc(-c2ccc(C)cc2)c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C29H26O5/c1-5-33-29(31)25-24(26(30)20-10-6-18(2)7-11-20)27(21-12-8-19(3)9-13-21)34-28(25)22-14-16-23(32-4)17-15-22/h6-17H,5H2,1-4H3
InChIKeyMTVRFBREFOCSRA-UHFFFAOYSA-N
XLogP6.65
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate
CID 71813757
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate
CID 42612485
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
diethyl 4-(4-methoxybenzoyl)thiophene-2,3-dicarboxylate
CID 54753916
(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
CID 134487475
ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate
CID 132531249
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenyl)phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylphenoxy)benzoyl]phenoxy]benzoyl]phenyl]ethanone;1-[4-[4-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone
CID 158259629
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenyl]phenyl]ethanone
CID 158374432
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate (CID 71489624) is ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)oc(-c2ccc(C)cc2)c1C(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate?
The InChIKey is MTVRFBREFOCSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O5/c1-5-33-29(31)25-24(26(30)20-10-6-18(2)7-11-20)27(21-12-8-19(3)9-13-21)34-28(25)22-14-16-23(32-4)17-15-22/h6-17H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate?
ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate has a molecular weight of 454.52 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate is sourced from PubChem (CID 71489624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).