3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol

C16H19NO2 — CID 174538991

IUPAC3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol
SMILESCCN1COc2ccccc2C1.Oc1ccccc1
InChIInChI=1S/C10H13NO.C6H6O/c1-2-11-7-9-5-3-4-6-10(9)12-8-11;7-6-4-2-1-3-5-6/h3-6H,2,7-8H2,1H3;1-5,7H
InChIKeyBRQBWUCPVKGYRY-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.25
Rot. Bonds1

About 3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol

3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol (PubChem CID 174538991) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol.

Molecular Properties

Compound Name3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol
PubChem CID174538991
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol
SMILESCCN1COc2ccccc2C1.Oc1ccccc1
InChIInChI=1S/C10H13NO.C6H6O/c1-2-11-7-9-5-3-4-6-10(9)12-8-11;7-6-4-2-1-3-5-6/h3-6H,2,7-8H2,1H3;1-5,7H
InChIKeyBRQBWUCPVKGYRY-UHFFFAOYSA-N
XLogP3.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dihydro-1,3-benzoxazin-3-ylmethyl)-2,4-dihydro-1,3-benzoxazine;ethane
CID 162155104
6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine
CID 134384301
carbanide;ethane;bis(3-phenyl-2,4-dihydro-1,3-benzoxazine);propane;yttrium
CID 159812360
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
4-[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]phenol
CID 82962513
benzene;phenol;propane
CID 157176896
3-ethyl-2H-1,3-benzoxazole
CID 19969378
3-[2-(2,4,6,7-tetrahydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
CID 167110408
3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
CID 143809169
methanol;phenol;propane
CID 91268562
3-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;ethane
CID 142370791
4-(2,4-dihydro-1,3-benzoxazin-3-yl)butyl prop-2-enoate
CID 139929905

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol?
The IUPAC name of 3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol (CID 174538991) is 3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol.
What is the SMILES notation for 3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol?
The canonical SMILES for 3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol is CCN1COc2ccccc2C1.Oc1ccccc1.
What is the InChIKey of 3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol?
The InChIKey is BRQBWUCPVKGYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C6H6O/c1-2-11-7-9-5-3-4-6-10(9)12-8-11;7-6-4-2-1-3-5-6/h3-6H,2,7-8H2,1H3;1-5,7H.
What are the key properties of 3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol?
3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol has a molecular weight of 257.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol is sourced from PubChem (CID 174538991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).