2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol

C21H28O5 — CID 15098594

IUPAC2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol
SMILESCCCc1ccc(OC(C)C(OC)c2ccc(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H28O5/c1-6-7-15-8-11-18(20(12-15)24-4)26-14(2)21(25-5)16-9-10-17(22)19(13-16)23-3/h8-14,21-22H,6-7H2,1-5H3
InChIKeyYASJICOIDYZYMU-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.52
Rot. Bonds9

About 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol

2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol (PubChem CID 15098594) has the molecular formula C21H28O5 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol
PubChem CID15098594
Molecular FormulaC21H28O5
Molecular Weight360.45 g/mol
Exact Mass360.19
IUPAC Name2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol
SMILESCCCc1ccc(OC(C)C(OC)c2ccc(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H28O5/c1-6-7-15-8-11-18(20(12-15)24-4)26-14(2)21(25-5)16-9-10-17(22)19(13-16)23-3/h8-14,21-22H,6-7H2,1-5H3
InChIKeyYASJICOIDYZYMU-UHFFFAOYSA-N
XLogP4.52
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol with MolForge

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Related Compounds

ethane;2-methoxy-4-propylphenol
CID 144852330
4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol
CID 162462065
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol
CID 71407033
2-[5-hydroxy-2-[3-hydroxy-2-methoxy-1-(2-methoxy-4-propylphenoxy)propyl]-4-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 129126121
2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol
CID 163016012
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol
CID 50909263
4-[(1S,2S)-1-ethoxy-3-hydroxy-1-[4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-methoxypropan-2-yl]oxy-3-methoxyphenyl]propan-2-yl]-2-methoxyphenol
CID 134142160
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol
CID 107667812

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol?
The IUPAC name of 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol (CID 15098594) is 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol is CCCc1ccc(OC(C)C(OC)c2ccc(O)c(OC)c2)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol?
The InChIKey is YASJICOIDYZYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O5/c1-6-7-15-8-11-18(20(12-15)24-4)26-14(2)21(25-5)16-9-10-17(22)19(13-16)23-3/h8-14,21-22H,6-7H2,1-5H3.
What are the key properties of 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol?
2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol has a molecular weight of 360.45 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol is sourced from PubChem (CID 15098594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).