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

C10H13NO2 — CID 84618456

IUPAC(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
SMILESCC1Nc2ccccc2OC1CO
InChIInChI=1S/C10H13NO2/c1-7-10(6-12)13-9-5-3-2-4-8(9)11-7/h2-5,7,10-12H,6H2,1H3
InChIKeyIYTZTHBNXKBHMK-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.24
Rot. Bonds1

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

(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol (PubChem CID 84618456) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
PubChem CID84618456
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
SMILESCC1Nc2ccccc2OC1CO
InChIInChI=1S/C10H13NO2/c1-7-10(6-12)13-9-5-3-2-4-8(9)11-7/h2-5,7,10-12H,6H2,1H3
InChIKeyIYTZTHBNXKBHMK-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Practolol
CID 4883
3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
1-(2-Ethoxyphenyl)piperazine
CID 83357
Practolol, (S)-
CID 443371
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
Hydroxybenzomorpholine
CID 117709
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
1-(2-Butoxyphenyl)piperazine
CID 14479837
Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 31090
2-((2-Methoxyphenyl)amino)ethanol
CID 76238
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
(3,4-Dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 21824043

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
The IUPAC name of (3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol (CID 84618456) is (3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol.
What is the SMILES notation for (3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
The canonical SMILES for (3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol is CC1Nc2ccccc2OC1CO.
What is the InChIKey of (3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
The InChIKey is IYTZTHBNXKBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-10(6-12)13-9-5-3-2-4-8(9)11-7/h2-5,7,10-12H,6H2,1H3.
What are the key properties of (3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol?
(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol has a molecular weight of 179.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol is sourced from PubChem (CID 84618456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).