(2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene

C16H20O2 — CID 14478580

IUPAC(2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene
SMILESC#C[C@]1(C)CCc2c(C)c(OC)c(C)c(C)c2O1
InChIInChI=1S/C16H20O2/c1-7-16(5)9-8-13-12(4)14(17-6)10(2)11(3)15(13)18-16/h1H,8-9H2,2-6H3/t16-/m1/s1
InChIKeyTVZJFSXMAVGQOK-MRXNPFEDSA-N
MW244.33 g/mol
LogP3.34
Rot. Bonds1

About (2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene

(2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene (PubChem CID 14478580) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name(2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene
PubChem CID14478580
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene
SMILESC#C[C@]1(C)CCc2c(C)c(OC)c(C)c(C)c2O1
InChIInChI=1S/C16H20O2/c1-7-16(5)9-8-13-12(4)14(17-6)10(2)11(3)15(13)18-16/h1H,8-9H2,2-6H3/t16-/m1/s1
InChIKeyTVZJFSXMAVGQOK-MRXNPFEDSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene?
The IUPAC name of (2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene (CID 14478580) is (2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene.
What is the SMILES notation for (2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene?
The canonical SMILES for (2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene is C#C[C@]1(C)CCc2c(C)c(OC)c(C)c(C)c2O1.
What is the InChIKey of (2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene?
The InChIKey is TVZJFSXMAVGQOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20O2/c1-7-16(5)9-8-13-12(4)14(17-6)10(2)11(3)15(13)18-16/h1H,8-9H2,2-6H3/t16-/m1/s1.
What are the key properties of (2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene?
(2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene has a molecular weight of 244.33 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene is sourced from PubChem (CID 14478580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).