2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol

C18H22O5 — CID 44511349

IUPAC2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOc1ccc(C(C)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H22O5/c1-11(12-6-7-15(20-2)14(19)8-12)13-9-16(21-3)18(23-5)17(10-13)22-4/h6-11,19H,1-5H3
InChIKeyQYGLZHAKPJPOGY-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.58
Rot. Bonds6

About 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol

2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol (PubChem CID 44511349) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol
PubChem CID44511349
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOc1ccc(C(C)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H22O5/c1-11(12-6-7-15(20-2)14(19)8-12)13-9-16(21-3)18(23-5)17(10-13)22-4/h6-11,19H,1-5H3
InChIKeyQYGLZHAKPJPOGY-UHFFFAOYSA-N
XLogP3.58
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The IUPAC name of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol (CID 44511349) is 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The canonical SMILES for 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol is COc1ccc(C(C)c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The InChIKey is QYGLZHAKPJPOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-11(12-6-7-15(20-2)14(19)8-12)13-9-16(21-3)18(23-5)17(10-13)22-4/h6-11,19H,1-5H3.
What are the key properties of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol?
2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol has a molecular weight of 318.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenol is sourced from PubChem (CID 44511349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).