3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol

C15H16O3 — CID 10466989

IUPAC3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol
SMILESCOc1cc(O)cc(CCc2cccc(O)c2)c1
InChIInChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3
InChIKeyVYQXIUVIYICVCM-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.89
Rot. Bonds4

About 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol

3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol (PubChem CID 10466989) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol
PubChem CID10466989
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol
SMILESCOc1cc(O)cc(CCc2cccc(O)c2)c1
InChIInChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3
InChIKeyVYQXIUVIYICVCM-UHFFFAOYSA-N
XLogP2.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol?
The IUPAC name of 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol (CID 10466989) is 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol is COc1cc(O)cc(CCc2cccc(O)c2)c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol?
The InChIKey is VYQXIUVIYICVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3.
What are the key properties of 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol?
3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol has a molecular weight of 244.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol is sourced from PubChem (CID 10466989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).