2,6-bis(1-methoxypropyl)phenol

C14H22O3 — CID 118038055

IUPAC2,6-bis(1-methoxypropyl)phenol
SMILESCCC(OC)c1cccc(C(CC)OC)c1O
InChIInChI=1S/C14H22O3/c1-5-12(16-3)10-8-7-9-11(14(10)15)13(6-2)17-4/h7-9,12-13,15H,5-6H2,1-4H3
InChIKeyJIRPUXXLZPWTTE-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.59
Rot. Bonds6

About 2,6-bis(1-methoxypropyl)phenol

2,6-bis(1-methoxypropyl)phenol (PubChem CID 118038055) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,6-bis(1-methoxypropyl)phenol.

Molecular Properties

Compound Name2,6-bis(1-methoxypropyl)phenol
PubChem CID118038055
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2,6-bis(1-methoxypropyl)phenol
SMILESCCC(OC)c1cccc(C(CC)OC)c1O
InChIInChI=1S/C14H22O3/c1-5-12(16-3)10-8-7-9-11(14(10)15)13(6-2)17-4/h7-9,12-13,15H,5-6H2,1-4H3
InChIKeyJIRPUXXLZPWTTE-UHFFFAOYSA-N
XLogP3.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methoxypropyl)azulene-1-sulfonic acid
CID 88671514
5-(1-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 142484620
4-bromo-1,2-bis(1-methoxypropyl)benzene
CID 68654874
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
2,6-di(propan-2-yl)phenol;silver
CID 174803720
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
1-(2-hydroxyphenyl)propyl formate
CID 173345342
1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 57075140
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
[6-(1-methoxypropyl)-2-pyridinyl]methanamine
CID 142404314
2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride
CID 171216004

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-methoxypropyl)phenol?
The IUPAC name of 2,6-bis(1-methoxypropyl)phenol (CID 118038055) is 2,6-bis(1-methoxypropyl)phenol.
What is the SMILES notation for 2,6-bis(1-methoxypropyl)phenol?
The canonical SMILES for 2,6-bis(1-methoxypropyl)phenol is CCC(OC)c1cccc(C(CC)OC)c1O.
What is the InChIKey of 2,6-bis(1-methoxypropyl)phenol?
The InChIKey is JIRPUXXLZPWTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-12(16-3)10-8-7-9-11(14(10)15)13(6-2)17-4/h7-9,12-13,15H,5-6H2,1-4H3.
What are the key properties of 2,6-bis(1-methoxypropyl)phenol?
2,6-bis(1-methoxypropyl)phenol has a molecular weight of 238.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-methoxypropyl)phenol is sourced from PubChem (CID 118038055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).