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

C13H16O2 — CID 163386607

IUPAC4-methylspiro[3,4-dihydrochromene-2,3'-oxolane]
SMILESCC1CC2(CCOC2)Oc2ccccc21
InChIInChI=1S/C13H16O2/c1-10-8-13(6-7-14-9-13)15-12-5-3-2-4-11(10)12/h2-5,10H,6-9H2,1H3
InChIKeyJOGISJAGZVFAKD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.73
Rot. Bonds

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

4-methylspiro[3,4-dihydrochromene-2,3'-oxolane] (PubChem CID 163386607) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methylspiro[3,4-dihydrochromene-2,3'-oxolane].

Molecular Properties

Compound Name4-methylspiro[3,4-dihydrochromene-2,3'-oxolane]
PubChem CID163386607
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-methylspiro[3,4-dihydrochromene-2,3'-oxolane]
SMILESCC1CC2(CCOC2)Oc2ccccc21
InChIInChI=1S/C13H16O2/c1-10-8-13(6-7-14-9-13)15-12-5-3-2-4-11(10)12/h2-5,10H,6-9H2,1H3
InChIKeyJOGISJAGZVFAKD-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol
CID 166260676
3-[2-oxo-2-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)ethyl]benzoic acid
CID 166262470
6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 114714192
3-phenyl-N-spiro[3,4-dihydrochromene-2,3'-oxolane]-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 167757014
N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114240817
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946089
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 114714890
N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711957
2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol
CID 20782807

Frequently Asked Questions

What is the IUPAC name of 4-methylspiro[3,4-dihydrochromene-2,3'-oxolane]?
The IUPAC name of 4-methylspiro[3,4-dihydrochromene-2,3'-oxolane] (CID 163386607) is 4-methylspiro[3,4-dihydrochromene-2,3'-oxolane].
What is the SMILES notation for 4-methylspiro[3,4-dihydrochromene-2,3'-oxolane]?
The canonical SMILES for 4-methylspiro[3,4-dihydrochromene-2,3'-oxolane] is CC1CC2(CCOC2)Oc2ccccc21.
What is the InChIKey of 4-methylspiro[3,4-dihydrochromene-2,3'-oxolane]?
The InChIKey is JOGISJAGZVFAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10-8-13(6-7-14-9-13)15-12-5-3-2-4-11(10)12/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-methylspiro[3,4-dihydrochromene-2,3'-oxolane]?
4-methylspiro[3,4-dihydrochromene-2,3'-oxolane] has a molecular weight of 204.27 g/mol, XLogP of 2.73, 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-2,3'-oxolane] is sourced from PubChem (CID 163386607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).