1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol

C16H26O4 — CID 106666594

IUPAC1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol
SMILESCOc1ccc(C(C)O)cc1COCCC(C)(C)OC
InChIInChI=1S/C16H26O4/c1-12(17)13-6-7-15(18-4)14(10-13)11-20-9-8-16(2,3)19-5/h6-7,10,12,17H,8-9,11H2,1-5H3
InChIKeyRZAIZHFNYMKXGZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.08
Rot. Bonds8

About 1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol

1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol (PubChem CID 106666594) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol
PubChem CID106666594
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol
SMILESCOc1ccc(C(C)O)cc1COCCC(C)(C)OC
InChIInChI=1S/C16H26O4/c1-12(17)13-6-7-15(18-4)14(10-13)11-20-9-8-16(2,3)19-5/h6-7,10,12,17H,8-9,11H2,1-5H3
InChIKeyRZAIZHFNYMKXGZ-UHFFFAOYSA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]-N-methylethanamine
CID 106665328
(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034187
4-bromo-1-methoxy-2-[(3-methoxy-3-methylbutoxy)methyl]benzene
CID 106666445
[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine
CID 106665154
1-[3-(3,3-dimethylbutoxymethyl)-4-methoxyphenyl]-N-methylethanamine
CID 66232006
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol
CID 163533268
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355074
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
CID 54936626
N-ethyl-2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]ethanamine
CID 82353953
1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol
CID 63557286

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol?
The IUPAC name of 1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol (CID 106666594) is 1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol?
The canonical SMILES for 1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol is COc1ccc(C(C)O)cc1COCCC(C)(C)OC.
What is the InChIKey of 1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol?
The InChIKey is RZAIZHFNYMKXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-12(17)13-6-7-15(18-4)14(10-13)11-20-9-8-16(2,3)19-5/h6-7,10,12,17H,8-9,11H2,1-5H3.
What are the key properties of 1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol?
1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol has a molecular weight of 282.38 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol is sourced from PubChem (CID 106666594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).