(3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran

C12H14O — CID 91871115

IUPAC(3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran
SMILESCc1cccc([C@@H]2C=CCOC2)c1
InChIInChI=1S/C12H14O/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12/h2-6,8,12H,7,9H2,1H3/t12-/m1/s1
InChIKeyZFURBFDCJZDYKK-GFCCVEGCSA-N
MW174.24 g/mol
LogP2.67
Rot. Bonds1

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

(3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran (PubChem CID 91871115) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran
PubChem CID91871115
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran
SMILESCc1cccc([C@@H]2C=CCOC2)c1
InChIInChI=1S/C12H14O/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12/h2-6,8,12H,7,9H2,1H3/t12-/m1/s1
InChIKeyZFURBFDCJZDYKK-GFCCVEGCSA-N
XLogP2.67
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 ≤ 52.67
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 (3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran (CID 91871115) is (3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran is Cc1cccc([C@@H]2C=CCOC2)c1.
What is the InChIKey of (3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran?
The InChIKey is ZFURBFDCJZDYKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12/h2-6,8,12H,7,9H2,1H3/t12-/m1/s1.
What are the key properties of (3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran?
(3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran has a molecular weight of 174.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methylphenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 91871115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).