(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene

C12H16O — CID 126699254

IUPAC(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene
SMILESCc1ccc2c(c1)[C@H](C)C[C@@H](C)O2
InChIInChI=1S/C12H16O/c1-8-4-5-12-11(6-8)9(2)7-10(3)13-12/h4-6,9-10H,7H2,1-3H3/t9-,10-/m1/s1
InChIKeyYTDQBVBHPIVTSX-NXEZZACHSA-N
MW176.26 g/mol
LogP3.27
Rot. Bonds

About (2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene

(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene (PubChem CID 126699254) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene
PubChem CID126699254
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene
SMILESCc1ccc2c(c1)[C@H](C)C[C@@H](C)O2
InChIInChI=1S/C12H16O/c1-8-4-5-12-11(6-8)9(2)7-10(3)13-12/h4-6,9-10H,7H2,1-3H3/t9-,10-/m1/s1
InChIKeyYTDQBVBHPIVTSX-NXEZZACHSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol
CID 124573509
3,5-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 23008934
(2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 83906205
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
(4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946373
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766
(3R,5S)-3,5-dimethyloxolan-2-one
CID 5324164
(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950688
6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709586

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene (CID 126699254) is (2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene is Cc1ccc2c(c1)[C@H](C)C[C@@H](C)O2.
What is the InChIKey of (2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene?
The InChIKey is YTDQBVBHPIVTSX-NXEZZACHSA-N. The full InChI is InChI=1S/C12H16O/c1-8-4-5-12-11(6-8)9(2)7-10(3)13-12/h4-6,9-10H,7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene?
(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene has a molecular weight of 176.26 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 126699254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).