4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine

C14H12ClNO — CID 117007468

IUPAC4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
SMILESClc1ccccc1N1CCOc2ccccc21
InChIInChI=1S/C14H12ClNO/c15-11-5-1-2-6-12(11)16-9-10-17-14-8-4-3-7-13(14)16/h1-8H,9-10H2
InChIKeyZCFYAWAPNVQGOY-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.87
Rot. Bonds1

About 4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine

4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 117007468) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID117007468
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
SMILESClc1ccccc1N1CCOc2ccccc21
InChIInChI=1S/C14H12ClNO/c15-11-5-1-2-6-12(11)16-9-10-17-14-8-4-3-7-13(14)16/h1-8H,9-10H2
InChIKeyZCFYAWAPNVQGOY-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007473
4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007491
4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
CID 90715593
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 174643080
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)butane-1,4-dione
CID 56560282
2-chloro-5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)aniline
CID 117221511
3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198
4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine (CID 117007468) is 4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine is Clc1ccccc1N1CCOc2ccccc21.
What is the InChIKey of 4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ZCFYAWAPNVQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-11-5-1-2-6-12(11)16-9-10-17-14-8-4-3-7-13(14)16/h1-8H,9-10H2.
What are the key properties of 4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine?
4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 245.71 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117007468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).