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

C15H14ClNO — CID 117007471

IUPAC4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCc1c(Cl)cccc1N1CCOc2ccccc21
InChIInChI=1S/C15H14ClNO/c1-11-12(16)5-4-7-13(11)17-9-10-18-15-8-3-2-6-14(15)17/h2-8H,9-10H2,1H3
InChIKeyGWBROWWIFCNEHX-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.18
Rot. Bonds1

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

4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 117007471) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID117007471
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCc1c(Cl)cccc1N1CCOc2ccccc21
InChIInChI=1S/C15H14ClNO/c1-11-12(16)5-4-7-13(11)17-9-10-18-15-8-3-2-6-14(15)17/h2-8H,9-10H2,1H3
InChIKeyGWBROWWIFCNEHX-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007468
4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007473
2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
CID 82391483
4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
4-(3-chloro-2-methylphenyl)morpholin-3-one
CID 165473298
4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007463
4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007491
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 174643080
2,3-dihydro-1,4-benzoxazin-4-yl-(4,5-dimethylthiophen-3-yl)methanone
CID 84554311
4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269
3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine (CID 117007471) is 4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine is Cc1c(Cl)cccc1N1CCOc2ccccc21.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is GWBROWWIFCNEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11-12(16)5-4-7-13(11)17-9-10-18-15-8-3-2-6-14(15)17/h2-8H,9-10H2,1H3.
What are the key properties of 4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
4-(3-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-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117007471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).