6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine

C14H12ClNO — CID 521357

IUPAC6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESClc1ccc2c(c1)CN(c1ccccc1)CO2
InChIInChI=1S/C14H12ClNO/c15-12-6-7-14-11(8-12)9-16(10-17-14)13-4-2-1-3-5-13/h1-8H,9-10H2
InChIKeyANDMOXODDHVMFN-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.70
Rot. Bonds1

About 6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine

6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 521357) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine
PubChem CID521357
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESClc1ccc2c(c1)CN(c1ccccc1)CO2
InChIInChI=1S/C14H12ClNO/c15-12-6-7-14-11(8-12)9-16(10-17-14)13-4-2-1-3-5-13/h1-8H,9-10H2
InChIKeyANDMOXODDHVMFN-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine
CID 543980
3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 4337747
4-(4-Chloro-2-methyl-phenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)-butan-1-one
CID 1739929
Cambridge id 5417758
CID 782220
(5-Chloro-2-propoxybenzyl)phenylamine
CID 2194466
6-Chloro-3-(4-sec-butylphenyl)-1,3-benzoxazine-2,4-dithione
CID 52942703
6-Chloro-3-(4-ethylphenyl)-4-thioxo-1,3-benzoxazin-2-one
CID 52942839
6-Chloro-3-(4-isopropylphenyl)-1,3-benzoxazine-2,4-dithione
CID 52943880
3-(4-Butylphenyl)-6-chloro-4-thioxo-1,3-benzoxazin-2-one
CID 52947391
6-Chloro-3-(4-ethylphenyl)-1,3-benzoxazine-2,4-dithione
CID 52947453
3-(4-Tert-butylphenyl)-6-chloro-1,3-benzoxazine-2,4-dithione
CID 52949998
6-chloro-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 707548

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine (CID 521357) is 6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine is Clc1ccc2c(c1)CN(c1ccccc1)CO2.
What is the InChIKey of 6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is ANDMOXODDHVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-12-6-7-14-11(8-12)9-16(10-17-14)13-4-2-1-3-5-13/h1-8H,9-10H2.
What are the key properties of 6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine?
6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 245.71 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 521357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).