5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one

C24H23NO2 — CID 45136566

IUPAC5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2)nc2c1C(C1CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C24H23NO2/c26-24-21-20(16-9-3-1-4-10-16)15-18-13-7-8-14-19(18)22(21)25-23(27-24)17-11-5-2-6-12-17/h2,5-8,11-14,16,20H,1,3-4,9-10,15H2
InChIKeyJDNLEHPTOKGNHF-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.59
Rot. Bonds2

About 5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one

5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one (PubChem CID 45136566) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one.

Molecular Properties

Compound Name5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one
PubChem CID45136566
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2)nc2c1C(C1CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C24H23NO2/c26-24-21-20(16-9-3-1-4-10-16)15-18-13-7-8-14-19(18)22(21)25-23(27-24)17-11-5-2-6-12-17/h2,5-8,11-14,16,20H,1,3-4,9-10,15H2
InChIKeyJDNLEHPTOKGNHF-UHFFFAOYSA-N
XLogP5.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one?
The IUPAC name of 5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one (CID 45136566) is 5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one.
What is the SMILES notation for 5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one?
The canonical SMILES for 5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one is O=c1oc(-c2ccccc2)nc2c1C(C1CCCCC1)Cc1ccccc1-2.
What is the InChIKey of 5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one?
The InChIKey is JDNLEHPTOKGNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c26-24-21-20(16-9-3-1-4-10-16)15-18-13-7-8-14-19(18)22(21)25-23(27-24)17-11-5-2-6-12-17/h2,5-8,11-14,16,20H,1,3-4,9-10,15H2.
What are the key properties of 5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one?
5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one has a molecular weight of 357.45 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-phenyl-5,6-dihydrobenzo[h][3,1]benzoxazin-4-one is sourced from PubChem (CID 45136566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).