5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol

C16H18O3 — CID 15222503

IUPAC5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol
SMILESCOc1ccccc1CCc1cc(O)c(C)c(O)c1
InChIInChI=1S/C16H18O3/c1-11-14(17)9-12(10-15(11)18)7-8-13-5-3-4-6-16(13)19-2/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyLLRJCKLNDNKRTF-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.20
Rot. Bonds4

About 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol

5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol (PubChem CID 15222503) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol
PubChem CID15222503
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol
SMILESCOc1ccccc1CCc1cc(O)c(C)c(O)c1
InChIInChI=1S/C16H18O3/c1-11-14(17)9-12(10-15(11)18)7-8-13-5-3-4-6-16(13)19-2/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyLLRJCKLNDNKRTF-UHFFFAOYSA-N
XLogP3.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol?
The IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol (CID 15222503) is 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol?
The canonical SMILES for 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol is COc1ccccc1CCc1cc(O)c(C)c(O)c1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol?
The InChIKey is LLRJCKLNDNKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-11-14(17)9-12(10-15(11)18)7-8-13-5-3-4-6-16(13)19-2/h3-6,9-10,17-18H,7-8H2,1-2H3.
What are the key properties of 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol?
5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol has a molecular weight of 258.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol is sourced from PubChem (CID 15222503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).