4'-methylspiro[3,4-dihydrochromene-2,2'-oxane]

C14H18O2 — CID 134834847

IUPAC4'-methylspiro[3,4-dihydrochromene-2,2'-oxane]
SMILESCC1CCOC2(CCc3ccccc3O2)C1
InChIInChI=1S/C14H18O2/c1-11-7-9-15-14(10-11)8-6-12-4-2-3-5-13(12)16-14/h2-5,11H,6-10H2,1H3
InChIKeyWJTODOUFCMNIRB-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.15
Rot. Bonds

About 4'-methylspiro[3,4-dihydrochromene-2,2'-oxane]

4'-methylspiro[3,4-dihydrochromene-2,2'-oxane] (PubChem CID 134834847) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4'-methylspiro[3,4-dihydrochromene-2,2'-oxane].

Molecular Properties

Compound Name4'-methylspiro[3,4-dihydrochromene-2,2'-oxane]
PubChem CID134834847
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4'-methylspiro[3,4-dihydrochromene-2,2'-oxane]
SMILESCC1CCOC2(CCc3ccccc3O2)C1
InChIInChI=1S/C14H18O2/c1-11-7-9-15-14(10-11)8-6-12-4-2-3-5-13(12)16-14/h2-5,11H,6-10H2,1H3
InChIKeyWJTODOUFCMNIRB-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Xanthene
CID 7107
Flavan
CID 94156
3-benzyl-3,4-dihydro-2H-chromene
CID 15331838
Isoflavan
CID 500472
Chroman
CID 136319
Tetrahydro-2-(4-methylphenoxy)-2H-pyran
CID 114531
2-Methylchroman
CID 380149
2,2-Dimethylchroman
CID 136936
m-Dioxane, 4-(p-methoxyphenyl)-5-methyl-
CID 21890
Bis(2-methoxyphenyl)methane
CID 22072
4,4-Dimethylchroman
CID 316763
(+)-(2R,4S,5R,6R)-2-(2-Hydroxyethyl)-benzo[h]1,7-dioxaspiro[5.5]decane-4-ol
CID 24792165

Frequently Asked Questions

What is the IUPAC name of 4'-methylspiro[3,4-dihydrochromene-2,2'-oxane]?
The IUPAC name of 4'-methylspiro[3,4-dihydrochromene-2,2'-oxane] (CID 134834847) is 4'-methylspiro[3,4-dihydrochromene-2,2'-oxane].
What is the SMILES notation for 4'-methylspiro[3,4-dihydrochromene-2,2'-oxane]?
The canonical SMILES for 4'-methylspiro[3,4-dihydrochromene-2,2'-oxane] is CC1CCOC2(CCc3ccccc3O2)C1.
What is the InChIKey of 4'-methylspiro[3,4-dihydrochromene-2,2'-oxane]?
The InChIKey is WJTODOUFCMNIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11-7-9-15-14(10-11)8-6-12-4-2-3-5-13(12)16-14/h2-5,11H,6-10H2,1H3.
What are the key properties of 4'-methylspiro[3,4-dihydrochromene-2,2'-oxane]?
4'-methylspiro[3,4-dihydrochromene-2,2'-oxane] has a molecular weight of 218.30 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methylspiro[3,4-dihydrochromene-2,2'-oxane] is sourced from PubChem (CID 134834847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).