3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine

C15H14ClNO2 — CID 866780

IUPAC3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccc2c(c1)CN(c1ccc(Cl)cc1)CO2
InChIInChI=1S/C15H14ClNO2/c1-18-14-6-7-15-11(8-14)9-17(10-19-15)13-4-2-12(16)3-5-13/h2-8H,9-10H2,1H3
InChIKeyFQLXMQOSSJFHEJ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.71
Rot. Bonds2

About 3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine

3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine (PubChem CID 866780) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine
PubChem CID866780
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccc2c(c1)CN(c1ccc(Cl)cc1)CO2
InChIInChI=1S/C15H14ClNO2/c1-18-14-6-7-15-11(8-14)9-17(10-19-15)13-4-2-12(16)3-5-13/h2-8H,9-10H2,1H3
InChIKeyFQLXMQOSSJFHEJ-UHFFFAOYSA-N
XLogP3.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,5-dimethoxyphenyl)methanimine
CID 6879861
3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 4337747
1-(4-Chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
CID 10597050
1-(4-Chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine
CID 10737150
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 10832341
6-chloro-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 707548
3-Phenyl-3,4-dihydro-2H-1,3-benzoxazine
CID 352915
2H-1,3-Benzoxazine, 6-chloro-3,4-dihydro-3-phenyl-
CID 521357
Piperazine, 1-(2,5-dimethoxybenzyl)-4-phenyl-
CID 115951
3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-4-fluoroaniline
CID 784262
6-Chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
CID 4124439
2-(4-Chlorophenyl)-2,3-dihydro-1h-naphtho[1,2-e][1,3]oxazine
CID 240938

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine (CID 866780) is 3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine is COc1ccc2c(c1)CN(c1ccc(Cl)cc1)CO2.
What is the InChIKey of 3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine?
The InChIKey is FQLXMQOSSJFHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-18-14-6-7-15-11(8-14)9-17(10-19-15)13-4-2-12(16)3-5-13/h2-8H,9-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine?
3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine has a molecular weight of 275.74 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 866780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).