4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol

C15H13NO4 — CID 137133304

IUPAC4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1nc2cc(CO)ccc2o1
InChIInChI=1S/C15H13NO4/c1-19-14-7-10(18)3-4-11(14)15-16-12-6-9(8-17)2-5-13(12)20-15/h2-7,17-18H,8H2,1H3
InChIKeyFMKKXSLFSSVDCS-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.70
Rot. Bonds3

About 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol

4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol (PubChem CID 137133304) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol
PubChem CID137133304
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1nc2cc(CO)ccc2o1
InChIInChI=1S/C15H13NO4/c1-19-14-7-10(18)3-4-11(14)15-16-12-6-9(8-17)2-5-13(12)20-15/h2-7,17-18H,8H2,1H3
InChIKeyFMKKXSLFSSVDCS-UHFFFAOYSA-N
XLogP2.70
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol?
The IUPAC name of 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol (CID 137133304) is 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol.
What is the SMILES notation for 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol?
The canonical SMILES for 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol is COc1cc(O)ccc1-c1nc2cc(CO)ccc2o1.
What is the InChIKey of 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol?
The InChIKey is FMKKXSLFSSVDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-14-7-10(18)3-4-11(14)15-16-12-6-9(8-17)2-5-13(12)20-15/h2-7,17-18H,8H2,1H3.
What are the key properties of 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol?
4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol has a molecular weight of 271.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methoxyphenol is sourced from PubChem (CID 137133304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).