3,3'-dimethylidene-2,2'-spirobi[4H-chromene]

C19H16O2 — CID 19084225

IUPAC3,3'-dimethylidene-2,2'-spirobi[4H-chromene]
SMILESC=C1Cc2ccccc2OC12Oc1ccccc1CC2=C
InChIInChI=1S/C19H16O2/c1-13-11-15-7-3-5-9-17(15)20-19(13)14(2)12-16-8-4-6-10-18(16)21-19/h3-10H,1-2,11-12H2
InChIKeyKHKJZDDOBXLDJP-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.07
Rot. Bonds

About 3,3'-dimethylidene-2,2'-spirobi[4H-chromene]

3,3'-dimethylidene-2,2'-spirobi[4H-chromene] (PubChem CID 19084225) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3,3'-dimethylidene-2,2'-spirobi[4H-chromene].

Molecular Properties

Compound Name3,3'-dimethylidene-2,2'-spirobi[4H-chromene]
PubChem CID19084225
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name3,3'-dimethylidene-2,2'-spirobi[4H-chromene]
SMILESC=C1Cc2ccccc2OC12Oc1ccccc1CC2=C
InChIInChI=1S/C19H16O2/c1-13-11-15-7-3-5-9-17(15)20-19(13)14(2)12-16-8-4-6-10-18(16)21-19/h3-10H,1-2,11-12H2
InChIKeyKHKJZDDOBXLDJP-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9H-xanthene
CID 7107
1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
CID 172679993
spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene
CID 20671322
ethane;2-methylidene-1,3-benzodioxole;2-methylidene-3H-1-benzofuran
CID 159698745
7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile
CID 140556460
4H-1,2-benzoxazin-3-one
CID 158155909
2,2-difluoro-3,4-dihydrochromene
CID 14418574
biphenylene;9H-xanthene
CID 69049558
3,4-dihydrochromene-2,2-dicarboxylic acid
CID 67576895
2,2-bis(methoxymethyl)-4H-chromen-3-one
CID 57163474
11H-benzo[c][1]benzoxepin-6-one
CID 827435

Frequently Asked Questions

What is the IUPAC name of 3,3'-dimethylidene-2,2'-spirobi[4H-chromene]?
The IUPAC name of 3,3'-dimethylidene-2,2'-spirobi[4H-chromene] (CID 19084225) is 3,3'-dimethylidene-2,2'-spirobi[4H-chromene].
What is the SMILES notation for 3,3'-dimethylidene-2,2'-spirobi[4H-chromene]?
The canonical SMILES for 3,3'-dimethylidene-2,2'-spirobi[4H-chromene] is C=C1Cc2ccccc2OC12Oc1ccccc1CC2=C.
What is the InChIKey of 3,3'-dimethylidene-2,2'-spirobi[4H-chromene]?
The InChIKey is KHKJZDDOBXLDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-13-11-15-7-3-5-9-17(15)20-19(13)14(2)12-16-8-4-6-10-18(16)21-19/h3-10H,1-2,11-12H2.
What are the key properties of 3,3'-dimethylidene-2,2'-spirobi[4H-chromene]?
3,3'-dimethylidene-2,2'-spirobi[4H-chromene] has a molecular weight of 276.33 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-dimethylidene-2,2'-spirobi[4H-chromene] is sourced from PubChem (CID 19084225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).