3-chloro-2,7-dimethyl-2H-1,4-benzoxazine

C10H10ClNO — CID 82363801

IUPAC3-chloro-2,7-dimethyl-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)OC(C)C(Cl)=N2
InChIInChI=1S/C10H10ClNO/c1-6-3-4-8-9(5-6)13-7(2)10(11)12-8/h3-5,7H,1-2H3
InChIKeyVYDOTRZMFKSNAQ-UHFFFAOYSA-N
MW195.65 g/mol
LogP3.04
Rot. Bonds

About 3-chloro-2,7-dimethyl-2H-1,4-benzoxazine

3-chloro-2,7-dimethyl-2H-1,4-benzoxazine (PubChem CID 82363801) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-chloro-2,7-dimethyl-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-chloro-2,7-dimethyl-2H-1,4-benzoxazine
PubChem CID82363801
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name3-chloro-2,7-dimethyl-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)OC(C)C(Cl)=N2
InChIInChI=1S/C10H10ClNO/c1-6-3-4-8-9(5-6)13-7(2)10(11)12-8/h3-5,7H,1-2H3
InChIKeyVYDOTRZMFKSNAQ-UHFFFAOYSA-N
XLogP3.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6,8-trimethyl-6H-benzo[c]chromene
CID 59449406
2,5-dimethyl-3-methylidene-1-benzofuran
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(2S)-6-chloro-2-methyl-2H-1,4-benzoxazin-3-amine
CID 70248316
3-methyl-7-methylidenephenoxazine
CID 20746349
2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol
CID 167666261
ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine
CID 91294862
2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013063
2-chloro-3,3,5-trimethylindole
CID 163716557
7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine
CID 118129533
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
propane;2,3,5-trimethyl-3H-indole
CID 142037175
2-(4-chlorophenyl)-6-methyl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174489602

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,7-dimethyl-2H-1,4-benzoxazine?
The IUPAC name of 3-chloro-2,7-dimethyl-2H-1,4-benzoxazine (CID 82363801) is 3-chloro-2,7-dimethyl-2H-1,4-benzoxazine.
What is the SMILES notation for 3-chloro-2,7-dimethyl-2H-1,4-benzoxazine?
The canonical SMILES for 3-chloro-2,7-dimethyl-2H-1,4-benzoxazine is Cc1ccc2c(c1)OC(C)C(Cl)=N2.
What is the InChIKey of 3-chloro-2,7-dimethyl-2H-1,4-benzoxazine?
The InChIKey is VYDOTRZMFKSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-6-3-4-8-9(5-6)13-7(2)10(11)12-8/h3-5,7H,1-2H3.
What are the key properties of 3-chloro-2,7-dimethyl-2H-1,4-benzoxazine?
3-chloro-2,7-dimethyl-2H-1,4-benzoxazine has a molecular weight of 195.65 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,7-dimethyl-2H-1,4-benzoxazine is sourced from PubChem (CID 82363801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).