[2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate

C27H22O4 — CID 174699573

IUPAC[2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1/C(=C(\CC)c1ccccc1)c1coc2c(O)cccc12
InChIInChI=1S/C27H22O4/c1-3-19(18-11-6-5-7-12-18)26(21-13-8-9-16-24(21)31-25(29)4-2)22-17-30-27-20(22)14-10-15-23(27)28/h4-17,28H,2-3H2,1H3/b26-19-
InChIKeyIYGIHANOKGQAQJ-XHPQRKPJSA-N
MW410.47 g/mol
LogP6.60
Rot. Bonds6

About [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate

[2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate (PubChem CID 174699573) has the molecular formula C27H22O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate
PubChem CID174699573
Molecular FormulaC27H22O4
Molecular Weight410.47 g/mol
Exact Mass410.15
IUPAC Name[2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1/C(=C(\CC)c1ccccc1)c1coc2c(O)cccc12
InChIInChI=1S/C27H22O4/c1-3-19(18-11-6-5-7-12-18)26(21-13-8-9-16-24(21)31-25(29)4-2)22-17-30-27-20(22)14-10-15-23(27)28/h4-17,28H,2-3H2,1H3/b26-19-
InChIKeyIYGIHANOKGQAQJ-XHPQRKPJSA-N
XLogP6.60
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(E)-1-(2-oxo-1H-quinolin-6-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate
CID 174686879
[2-[(E)-1-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate
CID 174686826
[2-[(E)-2-phenyl-1-(1H-pyrazolo[4,5-b]pyridin-5-yl)but-1-enyl]phenyl] prop-2-enoate
CID 174686822
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
(3-benzoyl-2-hydroxyphenyl) prop-2-enoate
CID 21134250
[2-[(E)-1-(1H-indazol-5-yl)-2-(4-methylphenyl)but-1-enyl]phenyl] prop-2-enoate
CID 174686933
(3-prop-2-enoyloxy-2-tetradecoxyphenyl) benzoate
CID 173404141
benzoic acid;(2-hydroxyphenyl) prop-2-enoate
CID 174625141
naphthalen-1-yl prop-2-enoate
CID 10192638
[2-[(E)-2-(4-hexoxyphenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl] prop-2-enoate
CID 174699348
[2-[(E)-4-fluoro-1-(4-fluoro-1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate
CID 174699255
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate?
The IUPAC name of [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate (CID 174699573) is [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate.
What is the SMILES notation for [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate?
The canonical SMILES for [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccccc1/C(=C(\CC)c1ccccc1)c1coc2c(O)cccc12.
What is the InChIKey of [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate?
The InChIKey is IYGIHANOKGQAQJ-XHPQRKPJSA-N. The full InChI is InChI=1S/C27H22O4/c1-3-19(18-11-6-5-7-12-18)26(21-13-8-9-16-24(21)31-25(29)4-2)22-17-30-27-20(22)14-10-15-23(27)28/h4-17,28H,2-3H2,1H3/b26-19-.
What are the key properties of [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate?
[2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate has a molecular weight of 410.47 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate is sourced from PubChem (CID 174699573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).