(2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran

C19H20O — CID 11140000

IUPAC(2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran
SMILESC[C@H]1CC=C[C@@H](C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C19H20O/c1-15-9-8-14-18(20-15)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-8,10-15,18-19H,9H2,1H3/t15-,18-/m0/s1
InChIKeyTXKCXPPPOISFCL-YJBOKZPZSA-N
MW264.37 g/mol
LogP4.55
Rot. Bonds3

About (2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran

(2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran (PubChem CID 11140000) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran
PubChem CID11140000
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran
SMILESC[C@H]1CC=C[C@@H](C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C19H20O/c1-15-9-8-14-18(20-15)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-8,10-15,18-19H,9H2,1H3/t15-,18-/m0/s1
InChIKeyTXKCXPPPOISFCL-YJBOKZPZSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.55
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 (2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran (CID 11140000) is (2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran is C[C@H]1CC=C[C@@H](C(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran?
The InChIKey is TXKCXPPPOISFCL-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H20O/c1-15-9-8-14-18(20-15)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-8,10-15,18-19H,9H2,1H3/t15-,18-/m0/s1.
What are the key properties of (2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran?
(2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran has a molecular weight of 264.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11140000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).