2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

C17H20O4 — CID 12888722

IUPAC2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOc1cc(CCc2ccccc2O)cc(OC)c1OC
InChIInChI=1S/C17H20O4/c1-19-15-10-12(11-16(20-2)17(15)21-3)8-9-13-6-4-5-7-14(13)18/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyCCENYSCLQOJNIC-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.20
Rot. Bonds6

About 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol (PubChem CID 12888722) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
PubChem CID12888722
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOc1cc(CCc2ccccc2O)cc(OC)c1OC
InChIInChI=1S/C17H20O4/c1-19-15-10-12(11-16(20-2)17(15)21-3)8-9-13-6-4-5-7-14(13)18/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyCCENYSCLQOJNIC-UHFFFAOYSA-N
XLogP3.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-Methyl-2,6-dimethoxyphenol
CID 240925
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CID 226486

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The IUPAC name of 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol (CID 12888722) is 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The canonical SMILES for 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol is COc1cc(CCc2ccccc2O)cc(OC)c1OC.
What is the InChIKey of 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The InChIKey is CCENYSCLQOJNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-19-15-10-12(11-16(20-2)17(15)21-3)8-9-13-6-4-5-7-14(13)18/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol has a molecular weight of 288.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol is sourced from PubChem (CID 12888722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).