[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol

C17H19NO2 — CID 82057953

IUPAC[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
SMILESCc1ccc(CN2CCOc3ccc(CO)cc32)cc1
InChIInChI=1S/C17H19NO2/c1-13-2-4-14(5-3-13)11-18-8-9-20-17-7-6-15(12-19)10-16(17)18/h2-7,10,19H,8-9,11-12H2,1H3
InChIKeyBJHDDZZKNYWUBT-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.89
Rot. Bonds3

About [4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol

[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol (PubChem CID 82057953) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol.

Molecular Properties

Compound Name[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
PubChem CID82057953
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
SMILESCc1ccc(CN2CCOc3ccc(CO)cc32)cc1
InChIInChI=1S/C17H19NO2/c1-13-2-4-14(5-3-13)11-18-8-9-20-17-7-6-15(12-19)10-16(17)18/h2-7,10,19H,8-9,11-12H2,1H3
InChIKeyBJHDDZZKNYWUBT-UHFFFAOYSA-N
XLogP2.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
CID 82057977
[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
CID 82057982
6-bromo-4-[(4-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 84611768
6-bromo-4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 68788129
2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetonitrile
CID 82096917
2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82096930
4-(3-bromopropyl)-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 118225629
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine
CID 82340042
(4-hexyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanol
CID 82058002
2-chloro-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880523
dimethylcarbamoyl 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylate
CID 145271092
methyl 3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propanoate
CID 118225615

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
The IUPAC name of [4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol (CID 82057953) is [4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol.
What is the SMILES notation for [4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
The canonical SMILES for [4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol is Cc1ccc(CN2CCOc3ccc(CO)cc32)cc1.
What is the InChIKey of [4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
The InChIKey is BJHDDZZKNYWUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-2-4-14(5-3-13)11-18-8-9-20-17-7-6-15(12-19)10-16(17)18/h2-7,10,19H,8-9,11-12H2,1H3.
What are the key properties of [4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol has a molecular weight of 269.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol is sourced from PubChem (CID 82057953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).