7H-benzo[d][1]benzoxepin-6-one

C14H10O2 — CID 149159158

IUPAC7H-benzo[d][1]benzoxepin-6-one
SMILESO=C1Cc2ccccc2-c2ccccc2O1
InChIInChI=1S/C14H10O2/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16-14/h1-8H,9H2
InChIKeyLPTVDFKRUQINCI-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.82
Rot. Bonds

About 7H-benzo[d][1]benzoxepin-6-one

7H-benzo[d][1]benzoxepin-6-one (PubChem CID 149159158) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 7H-benzo[d][1]benzoxepin-6-one.

Molecular Properties

Compound Name7H-benzo[d][1]benzoxepin-6-one
PubChem CID149159158
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name7H-benzo[d][1]benzoxepin-6-one
SMILESO=C1Cc2ccccc2-c2ccccc2O1
InChIInChI=1S/C14H10O2/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16-14/h1-8H,9H2
InChIKeyLPTVDFKRUQINCI-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-7H-benzo[d][1]benzoxepin-6-one
CID 164597950
3H-1-benzofuran-2-one;phosphorous acid
CID 161350819
11H-benzo[c][1]benzoxepin-6-one
CID 827435
9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;oxozirconium
CID 174355249
3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid
CID 159563483
azane;hexakis(9H-fluorene)
CID 158472914
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
cadmium;9H-fluorene
CID 175337736
chromium;9H-fluorene
CID 161167703
9H-fluorene;trihydrofluoride
CID 172854917
biphenylene;9H-xanthene
CID 69049558

Frequently Asked Questions

What is the IUPAC name of 7H-benzo[d][1]benzoxepin-6-one?
The IUPAC name of 7H-benzo[d][1]benzoxepin-6-one (CID 149159158) is 7H-benzo[d][1]benzoxepin-6-one.
What is the SMILES notation for 7H-benzo[d][1]benzoxepin-6-one?
The canonical SMILES for 7H-benzo[d][1]benzoxepin-6-one is O=C1Cc2ccccc2-c2ccccc2O1.
What is the InChIKey of 7H-benzo[d][1]benzoxepin-6-one?
The InChIKey is LPTVDFKRUQINCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16-14/h1-8H,9H2.
What are the key properties of 7H-benzo[d][1]benzoxepin-6-one?
7H-benzo[d][1]benzoxepin-6-one has a molecular weight of 210.23 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[d][1]benzoxepin-6-one is sourced from PubChem (CID 149159158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).