6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one

C16H15NO4 — CID 61089330

IUPAC6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
SMILESCCOc1ccccc1C(O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H15NO4/c1-2-20-13-6-4-3-5-11(13)15(18)10-7-8-12-14(9-10)21-16(19)17-12/h3-9,15,18H,2H2,1H3,(H,17,19)
InChIKeyNUGIUXZQGAQOBP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.60
Rot. Bonds4

About 6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one

6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one (PubChem CID 61089330) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
PubChem CID61089330
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
SMILESCCOc1ccccc1C(O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H15NO4/c1-2-20-13-6-4-3-5-11(13)15(18)10-7-8-12-14(9-10)21-16(19)17-12/h3-9,15,18H,2H2,1H3,(H,17,19)
InChIKeyNUGIUXZQGAQOBP-UHFFFAOYSA-N
XLogP2.60
TPSA75.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61087841
6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81477930
6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 106855347
(3,4-diethylphenyl)-(2-ethoxyphenyl)methanol
CID 115482646
6-[bromo-(4-ethoxyphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61098561
6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
CID 61089511
6-(1-hydroxy-2-oxobutyl)-3H-1,3-benzoxazol-2-one
CID 116835871
6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492593
6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61089170
6-(1-hydroxydecyl)-3H-1,3-benzoxazol-2-one
CID 65426000
6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089349
6-[(3-bromo-4-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81475814

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one (CID 61089330) is 6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one is CCOc1ccccc1C(O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is NUGIUXZQGAQOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-20-13-6-4-3-5-11(13)15(18)10-7-8-12-14(9-10)21-16(19)17-12/h3-9,15,18H,2H2,1H3,(H,17,19).
What are the key properties of 6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 285.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 61089330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).