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

C12H14O — CID 101259581

IUPAC(2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene
SMILESC=C[C@H]1CCc2cc(C)ccc2O1
InChIInChI=1S/C12H14O/c1-3-11-6-5-10-8-9(2)4-7-12(10)13-11/h3-4,7-8,11H,1,5-6H2,2H3/t11-/m0/s1
InChIKeyPCEYPHKLXROQFA-NSHDSACASA-N
MW174.24 g/mol
LogP2.87
Rot. Bonds1

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

(2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene (PubChem CID 101259581) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene
PubChem CID101259581
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene
SMILESC=C[C@H]1CCc2cc(C)ccc2O1
InChIInChI=1S/C12H14O/c1-3-11-6-5-10-8-9(2)4-7-12(10)13-11/h3-4,7-8,11H,1,5-6H2,2H3/t11-/m0/s1
InChIKeyPCEYPHKLXROQFA-NSHDSACASA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene (CID 101259581) is (2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene is C=C[C@H]1CCc2cc(C)ccc2O1.
What is the InChIKey of (2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene?
The InChIKey is PCEYPHKLXROQFA-NSHDSACASA-N. The full InChI is InChI=1S/C12H14O/c1-3-11-6-5-10-8-9(2)4-7-12(10)13-11/h3-4,7-8,11H,1,5-6H2,2H3/t11-/m0/s1.
What are the key properties of (2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene?
(2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene has a molecular weight of 174.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 101259581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).