[(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol

C9H10ClNO2 — CID 170730196

IUPAC[(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol
SMILESOC[C@H]1CNc2cccc(Cl)c2O1
InChIInChI=1S/C9H10ClNO2/c10-7-2-1-3-8-9(7)13-6(5-12)4-11-8/h1-3,6,11-12H,4-5H2/t6-/m1/s1
InChIKeyKSZDSBBWVYTXRQ-ZCFIWIBFSA-N
MW199.64 g/mol
LogP1.51
Rot. Bonds1

About [(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol

[(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol (PubChem CID 170730196) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is [(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol
PubChem CID170730196
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name[(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol
SMILESOC[C@H]1CNc2cccc(Cl)c2O1
InChIInChI=1S/C9H10ClNO2/c10-7-2-1-3-8-9(7)13-6(5-12)4-11-8/h1-3,6,11-12H,4-5H2/t6-/m1/s1
InChIKeyKSZDSBBWVYTXRQ-ZCFIWIBFSA-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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Related Compounds

(2S)-8-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975883
(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
CID 83816817
2-(8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 81433230
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 75355763
(2S)-8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975646
8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine
CID 170730200
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol
CID 117199882
8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81433582
(2S)-2-(azidomethyl)-8-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 86638908
2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
CID 84625365
[(2S)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine
CID 87495050
[8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine
CID 24985007

Frequently Asked Questions

What is the IUPAC name of [(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol?
The IUPAC name of [(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol (CID 170730196) is [(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol.
What is the SMILES notation for [(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol?
The canonical SMILES for [(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol is OC[C@H]1CNc2cccc(Cl)c2O1.
What is the InChIKey of [(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol?
The InChIKey is KSZDSBBWVYTXRQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-7-2-1-3-8-9(7)13-6(5-12)4-11-8/h1-3,6,11-12H,4-5H2/t6-/m1/s1.
What are the key properties of [(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol?
[(2R)-8-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 [(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol is sourced from PubChem (CID 170730196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).