(4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone

C13H14O2 — CID 10512299

IUPAC(4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
SMILESCC1=CCOC(C(=O)c2ccccc2)C1
InChIInChI=1S/C13H14O2/c1-10-7-8-15-12(9-10)13(14)11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3
InChIKeyVBUUGXZWFABZRP-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.60
Rot. Bonds2

About (4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone

(4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone (PubChem CID 10512299) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
PubChem CID10512299
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
SMILESCC1=CCOC(C(=O)c2ccccc2)C1
InChIInChI=1S/C13H14O2/c1-10-7-8-15-12(9-10)13(14)11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3
InChIKeyVBUUGXZWFABZRP-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
CID 78068098
oxiran-2-yl(phenyl)methanone
CID 11788375
[(2R,3S)-3-deuteriooxiran-2-yl]-phenylmethanone
CID 101354786
[(1S,6S)-3-methyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]-phenylmethanone
CID 134980832
(2,4-dihydroxyoxolan-3-yl)-phenylmethanone
CID 174518097
(1S,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 744231
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
oxiran-2-yl-(4-phenoxyphenyl)methanone
CID 116826428
(2-methylcyclohex-2-en-1-yl)-phenylmethanone
CID 24976480
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
(4S,5S)-4-benzoyl-5-methyloxolan-2-one
CID 99865015

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone?
The IUPAC name of (4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone (CID 10512299) is (4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone.
What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone?
The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone is CC1=CCOC(C(=O)c2ccccc2)C1.
What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone?
The InChIKey is VBUUGXZWFABZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-10-7-8-15-12(9-10)13(14)11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3.
What are the key properties of (4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone?
(4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone has a molecular weight of 202.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone is sourced from PubChem (CID 10512299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).