6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine

C15H14ClNO — CID 707548

IUPAC6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCc1ccc(N2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C15H14ClNO/c1-11-2-5-14(6-3-11)17-9-12-8-13(16)4-7-15(12)18-10-17/h2-8H,9-10H2,1H3
InChIKeyBISMLDRQEHMPSO-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.00
Rot. Bonds1

About 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine

6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 707548) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID707548
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCc1ccc(N2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C15H14ClNO/c1-11-2-5-14(6-3-11)17-9-12-8-13(16)4-7-15(12)18-10-17/h2-8H,9-10H2,1H3
InChIKeyBISMLDRQEHMPSO-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine (CID 707548) is 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine is Cc1ccc(N2COc3ccc(Cl)cc3C2)cc1.
What is the InChIKey of 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is BISMLDRQEHMPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11-2-5-14(6-3-11)17-9-12-8-13(16)4-7-15(12)18-10-17/h2-8H,9-10H2,1H3.
What are the key properties of 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 259.74 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 707548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).