(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol

C9H10ClNO2 — CID 10679508

IUPAC(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
SMILESOCC1CNc2cc(Cl)ccc2O1
InChIInChI=1S/C9H10ClNO2/c10-6-1-2-9-8(3-6)11-4-7(5-12)13-9/h1-3,7,11-12H,4-5H2
InChIKeyLFQRSXFICPKVRS-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.51
Rot. Bonds1

About (6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol

(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol (PubChem CID 10679508) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
PubChem CID10679508
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
SMILESOCC1CNc2cc(Cl)ccc2O1
InChIInChI=1S/C9H10ClNO2/c10-6-1-2-9-8(3-6)11-4-7(5-12)13-9/h1-3,7,11-12H,4-5H2
InChIKeyLFQRSXFICPKVRS-UHFFFAOYSA-N
XLogP1.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
The IUPAC name of (6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol (CID 10679508) is (6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol is OCC1CNc2cc(Cl)ccc2O1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
The InChIKey is LFQRSXFICPKVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-6-1-2-9-8(3-6)11-4-7(5-12)13-9/h1-3,7,11-12H,4-5H2.
What are the key properties of (6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol has a molecular weight of 199.64 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol is sourced from PubChem (CID 10679508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).