(5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one

C22H18O4 — CID 142740294

IUPAC(5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
SMILESCC1(C)C=Cc2cc(/C=C3\OC(=O)C=C3c3ccc(O)cc3)ccc2O1
InChIInChI=1S/C22H18O4/c1-22(2)10-9-16-11-14(3-8-19(16)26-22)12-20-18(13-21(24)25-20)15-4-6-17(23)7-5-15/h3-13,23H,1-2H3/b20-12-
InChIKeyJICNGLWMYZOTMZ-NDENLUEZSA-N
MW346.38 g/mol
LogP4.56
Rot. Bonds2

About (5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one

(5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one (PubChem CID 142740294) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is (5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
PubChem CID142740294
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name(5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
SMILESCC1(C)C=Cc2cc(/C=C3\OC(=O)C=C3c3ccc(O)cc3)ccc2O1
InChIInChI=1S/C22H18O4/c1-22(2)10-9-16-11-14(3-8-19(16)26-22)12-20-18(13-21(24)25-20)15-4-6-17(23)7-5-15/h3-13,23H,1-2H3/b20-12-
InChIKeyJICNGLWMYZOTMZ-NDENLUEZSA-N
XLogP4.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(2,2-dimethylchromen-6-yl)prop-2-enoic acid
CID 10513634
1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one
CID 85300645
3-[(2,2-dimethylchromen-6-yl)methyl]-4-(4-hydroxyphenyl)pyrrole-2,5-dione
CID 146684423
5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 75240741
(5Z)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 11587605
(5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one
CID 102259031
3-(4-hydroxyphenyl)furan-2,5-dione
CID 141054204
5-benzylidene-4-phenylfuran-2-one
CID 67301545
(E)-1-(3,4-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one
CID 118057441
10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one
CID 91937171
2,2-dimethyl-6-methylsulfonylchromene
CID 14210386
(5Z)-4-thiophen-3-yl-5-(thiophen-3-ylmethylidene)furan-2-one
CID 24825845

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The IUPAC name of (5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one (CID 142740294) is (5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one.
What is the SMILES notation for (5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The canonical SMILES for (5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one is CC1(C)C=Cc2cc(/C=C3\OC(=O)C=C3c3ccc(O)cc3)ccc2O1.
What is the InChIKey of (5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The InChIKey is JICNGLWMYZOTMZ-NDENLUEZSA-N. The full InChI is InChI=1S/C22H18O4/c1-22(2)10-9-16-11-14(3-8-19(16)26-22)12-20-18(13-21(24)25-20)15-4-6-17(23)7-5-15/h3-13,23H,1-2H3/b20-12-.
What are the key properties of (5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
(5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one has a molecular weight of 346.38 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one is sourced from PubChem (CID 142740294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).