2-(1-phenylethyl)-2H-pyran

C13H14O — CID 155618622

IUPAC2-(1-phenylethyl)-2H-pyran
SMILESCC(c1ccccc1)C1C=CC=CO1
InChIInChI=1S/C13H14O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-11,13H,1H3
InChIKeyZCQSOBZPEQGPIO-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.26
Rot. Bonds2

About 2-(1-phenylethyl)-2H-pyran

2-(1-phenylethyl)-2H-pyran (PubChem CID 155618622) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(1-phenylethyl)-2H-pyran.

Molecular Properties

Compound Name2-(1-phenylethyl)-2H-pyran
PubChem CID155618622
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2-(1-phenylethyl)-2H-pyran
SMILESCC(c1ccccc1)C1C=CC=CO1
InChIInChI=1S/C13H14O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-11,13H,1H3
InChIKeyZCQSOBZPEQGPIO-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(1-phenylethyl)-3,4-dihydro-2H-pyran-4-ol
CID 15423628
2-(1,3-dioxepin-2-yl)-2-phenylacetaldehyde
CID 57012347
1-(1-phenylethyl)-2H-pyridin-2-amine
CID 70399962
1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol
CID 141344343
1-bromoethylbenzene
CID 11454
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine
CID 158596752
1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene
CID 173052194
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethyl)-2H-pyran?
The IUPAC name of 2-(1-phenylethyl)-2H-pyran (CID 155618622) is 2-(1-phenylethyl)-2H-pyran.
What is the SMILES notation for 2-(1-phenylethyl)-2H-pyran?
The canonical SMILES for 2-(1-phenylethyl)-2H-pyran is CC(c1ccccc1)C1C=CC=CO1.
What is the InChIKey of 2-(1-phenylethyl)-2H-pyran?
The InChIKey is ZCQSOBZPEQGPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-11,13H,1H3.
What are the key properties of 2-(1-phenylethyl)-2H-pyran?
2-(1-phenylethyl)-2H-pyran has a molecular weight of 186.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethyl)-2H-pyran is sourced from PubChem (CID 155618622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).