1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol

C17H28O3 — CID 61101083

IUPAC1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol
SMILESCOc1ccc(OC)c(C(O)CC(C)CC(C)(C)C)c1
InChIInChI=1S/C17H28O3/c1-12(11-17(2,3)4)9-15(18)14-10-13(19-5)7-8-16(14)20-6/h7-8,10,12,15,18H,9,11H2,1-6H3
InChIKeyUTFIONMVRJOPOF-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.20
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol

1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol (PubChem CID 61101083) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol
PubChem CID61101083
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol
SMILESCOc1ccc(OC)c(C(O)CC(C)CC(C)(C)C)c1
InChIInChI=1S/C17H28O3/c1-12(11-17(2,3)4)9-15(18)14-10-13(19-5)7-8-16(14)20-6/h7-8,10,12,15,18H,9,11H2,1-6H3
InChIKeyUTFIONMVRJOPOF-UHFFFAOYSA-N
XLogP4.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61087087
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 112629921
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993463
1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 60970630
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 106448693
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
CID 65150827

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol (CID 61101083) is 1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol is COc1ccc(OC)c(C(O)CC(C)CC(C)(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol?
The InChIKey is UTFIONMVRJOPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-12(11-17(2,3)4)9-15(18)14-10-13(19-5)7-8-16(14)20-6/h7-8,10,12,15,18H,9,11H2,1-6H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol?
1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol is sourced from PubChem (CID 61101083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).