3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol

C14H12ClNO3 — CID 146661327

IUPAC3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol
SMILESOc1ccc(N2COc3ccc(O)cc3C2)c(Cl)c1
InChIInChI=1S/C14H12ClNO3/c15-12-6-11(18)1-3-13(12)16-7-9-5-10(17)2-4-14(9)19-8-16/h1-6,17-18H,7-8H2
InChIKeyNSRMWWFAZFIGAR-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.11
Rot. Bonds1

About 3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol

3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol (PubChem CID 146661327) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol.

Molecular Properties

Compound Name3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol
PubChem CID146661327
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol
SMILESOc1ccc(N2COc3ccc(O)cc3C2)c(Cl)c1
InChIInChI=1S/C14H12ClNO3/c15-12-6-11(18)1-3-13(12)16-7-9-5-10(17)2-4-14(9)19-8-16/h1-6,17-18H,7-8H2
InChIKeyNSRMWWFAZFIGAR-UHFFFAOYSA-N
XLogP3.11
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol?
The IUPAC name of 3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol (CID 146661327) is 3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol.
What is the SMILES notation for 3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol?
The canonical SMILES for 3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol is Oc1ccc(N2COc3ccc(O)cc3C2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol?
The InChIKey is NSRMWWFAZFIGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-12-6-11(18)1-3-13(12)16-7-9-5-10(17)2-4-14(9)19-8-16/h1-6,17-18H,7-8H2.
What are the key properties of 3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol?
3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol has a molecular weight of 277.71 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-hydroxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-ol is sourced from PubChem (CID 146661327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).