(3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one

C34H24O3 — CID 126057645

IUPAC(3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one
SMILESO=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C34H24O3/c35-34-29(22-33(37-34)28-17-15-26(16-18-28)25-11-5-2-6-12-25)21-31-30-14-8-7-13-27(30)19-20-32(31)36-23-24-9-3-1-4-10-24/h1-22H,23H2/b29-21+
InChIKeyAPEJEVZXRDWDET-XHLNEMQHSA-N
MW480.56 g/mol
LogP8.07
Rot. Bonds6

About (3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one

(3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one (PubChem CID 126057645) has the molecular formula C34H24O3 and a molecular weight of 480.56 g/mol. Its IUPAC name is (3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one
PubChem CID126057645
Molecular FormulaC34H24O3
Molecular Weight480.56 g/mol
Exact Mass480.17
IUPAC Name(3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one
SMILESO=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C34H24O3/c35-34-29(22-33(37-34)28-17-15-26(16-18-28)25-11-5-2-6-12-25)21-31-30-14-8-7-13-27(30)19-20-32(31)36-23-24-9-3-1-4-10-24/h1-22H,23H2/b29-21+
InChIKeyAPEJEVZXRDWDET-XHLNEMQHSA-N
XLogP8.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-(3,4-dimethylphenyl)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]furan-2-one
CID 126059912
(3E)-3-(anthracen-9-ylmethylidene)-5-(4-phenylphenyl)furan-2-one
CID 11091173
(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one
CID 45375711
3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3127564
(4Z)-2-(4-methylphenyl)-4-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
CID 6063070
5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 5140371
(4Z)-1-phenyl-4-[(2-phenylmethoxynaphthalen-1-yl)methylidene]pyrazolidine-3,5-dione
CID 126403066
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-5-(3,4-dimethylphenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 126062019
1,2-bis(phenylmethoxy)naphthalene
CID 67710722

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one?
The IUPAC name of (3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one (CID 126057645) is (3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one.
What is the SMILES notation for (3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one?
The canonical SMILES for (3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one is O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of (3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one?
The InChIKey is APEJEVZXRDWDET-XHLNEMQHSA-N. The full InChI is InChI=1S/C34H24O3/c35-34-29(22-33(37-34)28-17-15-26(16-18-28)25-11-5-2-6-12-25)21-31-30-14-8-7-13-27(30)19-20-32(31)36-23-24-9-3-1-4-10-24/h1-22H,23H2/b29-21+.
What are the key properties of (3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one?
(3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one has a molecular weight of 480.56 g/mol, XLogP of 8.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one is sourced from PubChem (CID 126057645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).