(2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol

C16H14O2 — CID 42638994

IUPAC(2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol
SMILESCc1ccc(/C=C2/Oc3ccccc3C2O)cc1
InChIInChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)10-15-16(17)13-4-2-3-5-14(13)18-15/h2-10,16-17H,1H3/b15-10+
InChIKeyDCZKBBJNLYZDMQ-XNTDXEJSSA-N
MW238.29 g/mol
LogP3.46
Rot. Bonds1

About (2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol

(2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol (PubChem CID 42638994) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol.

Molecular Properties

Compound Name(2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol
PubChem CID42638994
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol
SMILESCc1ccc(/C=C2/Oc3ccccc3C2O)cc1
InChIInChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)10-15-16(17)13-4-2-3-5-14(13)18-15/h2-10,16-17H,1H3/b15-10+
InChIKeyDCZKBBJNLYZDMQ-XNTDXEJSSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-[(4-chlorophenyl)methylidene]-3H-1-benzofuran-3-ol
CID 24806533
(2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol
CID 7374973
2-benzylidene-3H-1-benzofuran-3-carbaldehyde
CID 174224759
N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-9H-xanthene-9-carboxamide
CID 3888247
(2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol
CID 142714173
(3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol
CID 23266649
4-tert-butyl-9H-xanthen-9-ol
CID 102278756
(2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol
CID 177451465
3-phenyl-9H-xanthen-9-ol
CID 15685341
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
4-hydroxy-3-methylidene-4H-chromen-2-one
CID 21477201
(2E)-2-[(4-methylphenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 10729421

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol?
The IUPAC name of (2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol (CID 42638994) is (2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol.
What is the SMILES notation for (2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol?
The canonical SMILES for (2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol is Cc1ccc(/C=C2/Oc3ccccc3C2O)cc1.
What is the InChIKey of (2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol?
The InChIKey is DCZKBBJNLYZDMQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)10-15-16(17)13-4-2-3-5-14(13)18-15/h2-10,16-17H,1H3/b15-10+.
What are the key properties of (2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol?
(2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol has a molecular weight of 238.29 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol is sourced from PubChem (CID 42638994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).