6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine

C17H18ClNO — CID 42625345

IUPAC6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1c(C)c2c(c(C)c1Cl)NCC(c1ccccc1)O2
InChIInChI=1S/C17H18ClNO/c1-10-11(2)17-16(12(3)15(10)18)19-9-14(20-17)13-7-5-4-6-8-13/h4-8,14,19H,9H2,1-3H3
InChIKeyOOZSGNSLNPWYGO-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.81
Rot. Bonds1

About 6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine

6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 42625345) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID42625345
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1c(C)c2c(c(C)c1Cl)NCC(c1ccccc1)O2
InChIInChI=1S/C17H18ClNO/c1-10-11(2)17-16(12(3)15(10)18)19-9-14(20-17)13-7-5-4-6-8-13/h4-8,14,19H,9H2,1-3H3
InChIKeyOOZSGNSLNPWYGO-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine (CID 42625345) is 6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1c(C)c2c(c(C)c1Cl)NCC(c1ccccc1)O2.
What is the InChIKey of 6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is OOZSGNSLNPWYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-10-11(2)17-16(12(3)15(10)18)19-9-14(20-17)13-7-5-4-6-8-13/h4-8,14,19H,9H2,1-3H3.
What are the key properties of 6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 287.79 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 42625345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).