4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol

C20H26O5 — CID 50909263

IUPAC4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol
SMILESCCCc1ccc(Oc2cc(C(O)CC)cc(OC)c2O)c(OC)c1
InChIInChI=1S/C20H26O5/c1-5-7-13-8-9-16(17(10-13)23-3)25-19-12-14(15(21)6-2)11-18(24-4)20(19)22/h8-12,15,21-22H,5-7H2,1-4H3
InChIKeyMLNUAYKOTJMMJG-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.60
Rot. Bonds8

About 4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol

4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol (PubChem CID 50909263) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol.

Molecular Properties

Compound Name4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol
PubChem CID50909263
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol
SMILESCCCc1ccc(Oc2cc(C(O)CC)cc(OC)c2O)c(OC)c1
InChIInChI=1S/C20H26O5/c1-5-7-13-8-9-16(17(10-13)23-3)25-19-12-14(15(21)6-2)11-18(24-4)20(19)22/h8-12,15,21-22H,5-7H2,1-4H3
InChIKeyMLNUAYKOTJMMJG-UHFFFAOYSA-N
XLogP4.60
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol
CID 15098594
ethane;2-methoxy-4-propylphenol
CID 144852330
2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene
CID 155512745
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894
2,6-dimethoxy-4-pentylphenol
CID 22625510
(1R)-1-[2-(methoxymethoxy)-4-propylphenyl]propan-1-ol
CID 129384363
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049
2-methoxy-6-propylnaphthalene-1,4-diol
CID 152759210
2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol
CID 163016012
2-(1-isocyanoethyl)-1-methoxy-4-propylbenzene
CID 4269004

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol?
The IUPAC name of 4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol (CID 50909263) is 4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol.
What is the SMILES notation for 4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol?
The canonical SMILES for 4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol is CCCc1ccc(Oc2cc(C(O)CC)cc(OC)c2O)c(OC)c1.
What is the InChIKey of 4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol?
The InChIKey is MLNUAYKOTJMMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-5-7-13-8-9-16(17(10-13)23-3)25-19-12-14(15(21)6-2)11-18(24-4)20(19)22/h8-12,15,21-22H,5-7H2,1-4H3.
What are the key properties of 4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol?
4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol has a molecular weight of 346.42 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol is sourced from PubChem (CID 50909263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).