4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol

C31H40O7 — CID 162462065

IUPAC4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol
SMILESCCCc1cc(OC)c(OC(CC)c2ccc(OC(CC)c3ccc(O)c(OC)c3)c(OC)c2)c(OC)c1
InChIInChI=1S/C31H40O7/c1-8-11-20-16-29(35-6)31(30(17-20)36-7)38-25(10-3)22-13-15-26(28(19-22)34-5)37-24(9-2)21-12-14-23(32)27(18-21)33-4/h12-19,24-25,32H,8-11H2,1-7H3
InChIKeyHJZOKPITVRKGNS-UHFFFAOYSA-N
MW524.65 g/mol
LogP7.44
Rot. Bonds14

About 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol

4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol (PubChem CID 162462065) has the molecular formula C31H40O7 and a molecular weight of 524.65 g/mol. Its IUPAC name is 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol
PubChem CID162462065
Molecular FormulaC31H40O7
Molecular Weight524.65 g/mol
Exact Mass524.28
IUPAC Name4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol
SMILESCCCc1cc(OC)c(OC(CC)c2ccc(OC(CC)c3ccc(O)c(OC)c3)c(OC)c2)c(OC)c1
InChIInChI=1S/C31H40O7/c1-8-11-20-16-29(35-6)31(30(17-20)36-7)38-25(10-3)22-13-15-26(28(19-22)34-5)37-24(9-2)21-12-14-23(32)27(18-21)33-4/h12-19,24-25,32H,8-11H2,1-7H3
InChIKeyHJZOKPITVRKGNS-UHFFFAOYSA-N
XLogP7.44
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.65
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol with MolForge

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Related Compounds

2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol
CID 15098594
ethane;2-methoxy-4-propylphenol
CID 144852330
4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol
CID 90101577
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
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
(1S,2R)-2-[4-[(2S)-2,3-dihydroxypropyl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 163186315
2-[4-(2,3-dihydroxypropyl)-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 162997031
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol (CID 162462065) is 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol is CCCc1cc(OC)c(OC(CC)c2ccc(OC(CC)c3ccc(O)c(OC)c3)c(OC)c2)c(OC)c1.
What is the InChIKey of 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol?
The InChIKey is HJZOKPITVRKGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40O7/c1-8-11-20-16-29(35-6)31(30(17-20)36-7)38-25(10-3)22-13-15-26(28(19-22)34-5)37-24(9-2)21-12-14-23(32)27(18-21)33-4/h12-19,24-25,32H,8-11H2,1-7H3.
What are the key properties of 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol?
4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol has a molecular weight of 524.65 g/mol, XLogP of 7.44, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[1-(2,6-dimethoxy-4-propylphenoxy)propyl]-2-methoxyphenoxy]propyl]-2-methoxyphenol is sourced from PubChem (CID 162462065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).