(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane

C13H20O — CID 90989077

IUPAC(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
SMILESCC.C[C@H]1Cc2ccccc2O[C@@H]1C
InChIInChI=1S/C11H14O.C2H6/c1-8-7-10-5-3-4-6-11(10)12-9(8)2;1-2/h3-6,8-9H,7H2,1-2H3;1-2H3/t8-,9+;/m0./s1
InChIKeyBHQMDVWJZBHANO-OULXEKPRSA-N
MW192.30 g/mol
LogP3.67
Rot. Bonds

About (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane

(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane (PubChem CID 90989077) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
PubChem CID90989077
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
SMILESCC.C[C@H]1Cc2ccccc2O[C@@H]1C
InChIInChI=1S/C11H14O.C2H6/c1-8-7-10-5-3-4-6-11(10)12-9(8)2;1-2/h3-6,8-9H,7H2,1-2H3;1-2H3/t8-,9+;/m0./s1
InChIKeyBHQMDVWJZBHANO-OULXEKPRSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
(2-methyl-3,4-dihydro-2H-chromen-3-yl)methanol
CID 130824833
(2S,3R)-3-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 163392607
1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine
CID 97302014
2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 157211355
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;(2R,3R)-2,3-dimethyl-2,3-dihydrochromen-4-one;ethane;(2S,3R)-4-oxo-2,3-dihydrochromene-2,3-dicarboxamide;(2S,3R)-4-oxo-2,3-dihydrochromene-2,3-dicarboxylic acid
CID 160992250
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
N-ethyl-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 70261253
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene
CID 123821193

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane?
The IUPAC name of (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane (CID 90989077) is (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane.
What is the SMILES notation for (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane?
The canonical SMILES for (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane is CC.C[C@H]1Cc2ccccc2O[C@@H]1C.
What is the InChIKey of (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane?
The InChIKey is BHQMDVWJZBHANO-OULXEKPRSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-8-7-10-5-3-4-6-11(10)12-9(8)2;1-2/h3-6,8-9H,7H2,1-2H3;1-2H3/t8-,9+;/m0./s1.
What are the key properties of (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane?
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane has a molecular weight of 192.30 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane is sourced from PubChem (CID 90989077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).