6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine

C15H14ClNO2 — CID 709855

IUPAC6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccc(N2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C15H14ClNO2/c1-18-14-5-3-13(4-6-14)17-9-11-8-12(16)2-7-15(11)19-10-17/h2-8H,9-10H2,1H3
InChIKeyAQUVUCVXDSBWGM-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.71
Rot. Bonds2

About 6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine

6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 709855) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID709855
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccc(N2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C15H14ClNO2/c1-18-14-5-3-13(4-6-14)17-9-11-8-12(16)2-7-15(11)19-10-17/h2-8H,9-10H2,1H3
InChIKeyAQUVUCVXDSBWGM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine (CID 709855) is 6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine is COc1ccc(N2COc3ccc(Cl)cc3C2)cc1.
What is the InChIKey of 6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is AQUVUCVXDSBWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-18-14-5-3-13(4-6-14)17-9-11-8-12(16)2-7-15(11)19-10-17/h2-8H,9-10H2,1H3.
What are the key properties of 6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
6-chloro-3-(4-methoxyphenyl)-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 6-chloro-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 709855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).