(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol

C10H13NO2 — CID 83816817

IUPAC(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
SMILESCc1cccc2c1OC(CO)CN2
InChIInChI=1S/C10H13NO2/c1-7-3-2-4-9-10(7)13-8(6-12)5-11-9/h2-4,8,11-12H,5-6H2,1H3
InChIKeyLYWQWBVOIXRSIX-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.16
Rot. Bonds1

About (8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol

(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol (PubChem CID 83816817) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol.

Molecular Properties

Compound Name(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
PubChem CID83816817
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
SMILESCc1cccc2c1OC(CO)CN2
InChIInChI=1S/C10H13NO2/c1-7-3-2-4-9-10(7)13-8(6-12)5-11-9/h2-4,8,11-12H,5-6H2,1H3
InChIKeyLYWQWBVOIXRSIX-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol
CID 170730196
2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79001888
8-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 59679612
2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017957
8-methyl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 144994913
(2S)-8-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975883
8-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017783
[(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
CID 58765444
2-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 81495370
2-(8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 81433230
(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride
CID 136576225
[(2R)-8-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine
CID 68550017

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
The IUPAC name of (8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol (CID 83816817) is (8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol.
What is the SMILES notation for (8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
The canonical SMILES for (8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol is Cc1cccc2c1OC(CO)CN2.
What is the InChIKey of (8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
The InChIKey is LYWQWBVOIXRSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-3-2-4-9-10(7)13-8(6-12)5-11-9/h2-4,8,11-12H,5-6H2,1H3.
What are the key properties of (8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol has a molecular weight of 179.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol is sourced from PubChem (CID 83816817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).