4-benzyl-4H-pyran

C12H12O — CID 11030295

IUPAC4-benzyl-4H-pyran
SMILESC1=CC(Cc2ccccc2)C=CO1
InChIInChI=1S/C12H12O/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9,12H,10H2
InChIKeyIJJWPWUVXAQDNR-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.90
Rot. Bonds2

About 4-benzyl-4H-pyran

4-benzyl-4H-pyran (PubChem CID 11030295) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-benzyl-4H-pyran.

Molecular Properties

Compound Name4-benzyl-4H-pyran
PubChem CID11030295
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name4-benzyl-4H-pyran
SMILESC1=CC(Cc2ccccc2)C=CO1
InChIInChI=1S/C12H12O/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9,12H,10H2
InChIKeyIJJWPWUVXAQDNR-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21096
1-Phenylcyclohexene
CID 13043
Ethyl styryl ether
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1-Propen-1-ol, 2-phenyl-, 1-acetate, (1E)-
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Benzene, (2-methoxyethenyl)-
CID 5368493
Benzyl tetrahydropyran
CID 12284886
1,2,3,4-Tetrahydro-1,1'-biphenyl
CID 85820
1-Propen-1-ol, 2-phenyl-, 1-acetate, (1Z)-
CID 3036969
(3-Methoxy-2-methylpropyl)benzene
CID 22336876
Diphenylketene
CID 123069
2,5-Cyclohexadienylbenzene
CID 20927
[(E)-2-Methoxyethenyl]benzene
CID 107588

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4H-pyran?
The IUPAC name of 4-benzyl-4H-pyran (CID 11030295) is 4-benzyl-4H-pyran.
What is the SMILES notation for 4-benzyl-4H-pyran?
The canonical SMILES for 4-benzyl-4H-pyran is C1=CC(Cc2ccccc2)C=CO1.
What is the InChIKey of 4-benzyl-4H-pyran?
The InChIKey is IJJWPWUVXAQDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9,12H,10H2.
What are the key properties of 4-benzyl-4H-pyran?
4-benzyl-4H-pyran has a molecular weight of 172.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4H-pyran is sourced from PubChem (CID 11030295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).