1,5-dihydro-2-benzoxepine

C10H10O — CID 89374438

IUPAC1,5-dihydro-2-benzoxepine
SMILESC1=COCc2ccccc2C1
InChIInChI=1S/C10H10O/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-5,7H,6,8H2
InChIKeyGEXXUVOMFIUKAA-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.27
Rot. Bonds

About 1,5-dihydro-2-benzoxepine

1,5-dihydro-2-benzoxepine (PubChem CID 89374438) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1,5-dihydro-2-benzoxepine.

Molecular Properties

Compound Name1,5-dihydro-2-benzoxepine
PubChem CID89374438
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1,5-dihydro-2-benzoxepine
SMILESC1=COCc2ccccc2C1
InChIInChI=1S/C10H10O/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-5,7H,6,8H2
InChIKeyGEXXUVOMFIUKAA-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydro-2-benzoxepine?
The IUPAC name of 1,5-dihydro-2-benzoxepine (CID 89374438) is 1,5-dihydro-2-benzoxepine.
What is the SMILES notation for 1,5-dihydro-2-benzoxepine?
The canonical SMILES for 1,5-dihydro-2-benzoxepine is C1=COCc2ccccc2C1.
What is the InChIKey of 1,5-dihydro-2-benzoxepine?
The InChIKey is GEXXUVOMFIUKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-5,7H,6,8H2.
What are the key properties of 1,5-dihydro-2-benzoxepine?
1,5-dihydro-2-benzoxepine has a molecular weight of 146.19 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydro-2-benzoxepine is sourced from PubChem (CID 89374438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).