(2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene

C12H16O3 — CID 101362429

IUPAC(2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene
SMILESCO[C@H]1C[C@@](C)(OC)Oc2ccccc21
InChIInChI=1S/C12H16O3/c1-12(14-3)8-11(13-2)9-6-4-5-7-10(9)15-12/h4-7,11H,8H2,1-3H3/t11-,12-/m0/s1
InChIKeyLUWNTDCNQODLNL-RYUDHWBXSA-N
MW208.26 g/mol
LogP2.52
Rot. Bonds2

About (2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene

(2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene (PubChem CID 101362429) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene.

Molecular Properties

Compound Name(2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene
PubChem CID101362429
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene
SMILESCO[C@H]1C[C@@](C)(OC)Oc2ccccc21
InChIInChI=1S/C12H16O3/c1-12(14-3)8-11(13-2)9-6-4-5-7-10(9)15-12/h4-7,11H,8H2,1-3H3/t11-,12-/m0/s1
InChIKeyLUWNTDCNQODLNL-RYUDHWBXSA-N
XLogP2.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethoxy-2-methyl-6-propan-2-yl-3,4-dihydrochromene
CID 10729365
2-methoxy-2-methyl-3,4-dihydrochromene
CID 15054836
(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 134968733
(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949814
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701361
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709383
2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene
CID 10924571
1a-(1,6b-dihydrocyclopropa[b][1]benzofuran-1a-yloxy)-1,6b-dihydrocyclopropa[b][1]benzofuran
CID 140621714
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114714861
(4R)-2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104950040
3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875170
N,2-dimethyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114711989

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene?
The IUPAC name of (2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene (CID 101362429) is (2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene.
What is the SMILES notation for (2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene?
The canonical SMILES for (2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene is CO[C@H]1C[C@@](C)(OC)Oc2ccccc21.
What is the InChIKey of (2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene?
The InChIKey is LUWNTDCNQODLNL-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(14-3)8-11(13-2)9-6-4-5-7-10(9)15-12/h4-7,11H,8H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene?
(2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene has a molecular weight of 208.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene is sourced from PubChem (CID 101362429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).