(3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran

C20H22O — CID 162418814

IUPAC(3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran
SMILESC/C=C1\c2ccccc2OC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H22O/c1-5-16-17-8-6-7-9-18(17)21-19(16)14-10-12-15(13-11-14)20(2,3)4/h5-13,19H,1-4H3/b16-5+
InChIKeyDWTYUEGTWOACAS-FZSIALSZSA-N
MW278.40 g/mol
LogP5.52
Rot. Bonds1

About (3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran

(3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran (PubChem CID 162418814) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is (3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran.

Molecular Properties

Compound Name(3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran
PubChem CID162418814
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name(3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran
SMILESC/C=C1\c2ccccc2OC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H22O/c1-5-16-17-8-6-7-9-18(17)21-19(16)14-10-12-15(13-11-14)20(2,3)4/h5-13,19H,1-4H3/b16-5+
InChIKeyDWTYUEGTWOACAS-FZSIALSZSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran?
The IUPAC name of (3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran (CID 162418814) is (3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran.
What is the SMILES notation for (3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran?
The canonical SMILES for (3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran is C/C=C1\c2ccccc2OC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran?
The InChIKey is DWTYUEGTWOACAS-FZSIALSZSA-N. The full InChI is InChI=1S/C20H22O/c1-5-16-17-8-6-7-9-18(17)21-19(16)14-10-12-15(13-11-14)20(2,3)4/h5-13,19H,1-4H3/b16-5+.
What are the key properties of (3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran?
(3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran has a molecular weight of 278.40 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran is sourced from PubChem (CID 162418814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).