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

C15H14ClNO — CID 117007473

IUPAC4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc(Cl)ccc1N1CCOc2ccccc21
InChIInChI=1S/C15H14ClNO/c1-11-10-12(16)6-7-13(11)17-8-9-18-15-5-3-2-4-14(15)17/h2-7,10H,8-9H2,1H3
InChIKeyAAXKXQKAXMBJCY-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.18
Rot. Bonds1

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

4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 117007473) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID117007473
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc(Cl)ccc1N1CCOc2ccccc21
InChIInChI=1S/C15H14ClNO/c1-11-10-12(16)6-7-13(11)17-8-9-18-15-5-3-2-4-14(15)17/h2-7,10H,8-9H2,1H3
InChIKeyAAXKXQKAXMBJCY-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007468
4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007471
2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
CID 82391483
N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865826
4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007463
4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine
CID 67059916
2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
CID 954409
7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 58184388
4-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)aniline
CID 115468958
4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007491
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine (CID 117007473) is 4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine is Cc1cc(Cl)ccc1N1CCOc2ccccc21.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is AAXKXQKAXMBJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11-10-12(16)6-7-13(11)17-8-9-18-15-5-3-2-4-14(15)17/h2-7,10H,8-9H2,1H3.
What are the key properties of 4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 259.74 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117007473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).