1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol

C15H24O2 — CID 82266357

IUPAC1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol
SMILESCCCOc1cc(C)c(C(O)CC)c(C)c1C
InChIInChI=1S/C15H24O2/c1-6-8-17-14-9-10(3)15(13(16)7-2)12(5)11(14)4/h9,13,16H,6-8H2,1-5H3
InChIKeySUVNHCCOKQYQSD-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.84
Rot. Bonds5

About 1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol

1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol (PubChem CID 82266357) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol
PubChem CID82266357
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol
SMILESCCCOc1cc(C)c(C(O)CC)c(C)c1C
InChIInChI=1S/C15H24O2/c1-6-8-17-14-9-10(3)15(13(16)7-2)12(5)11(14)4/h9,13,16H,6-8H2,1-5H3
InChIKeySUVNHCCOKQYQSD-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
CID 82266399
3-(2,3,6-trimethyl-4-propoxyphenyl)butyl thiocyanate
CID 112719322
4,5-dimethyl-2-propoxyphenol
CID 82053946
4-(4-ethoxy-2,3,6-trimethylphenyl)hexane-1,2-diol
CID 83939525
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
CID 116830252
ethyl 2-oxo-2-(2,3,6-trimethyl-4-propoxyphenyl)acetate
CID 82552592
1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine
CID 82552633
4-(4-ethoxy-2,3,6-trimethylphenyl)pentane-1,2-diol
CID 83939523
5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
CID 83939600
triphenyl-[(2,3,6-trimethyl-4-propoxyphenyl)methyl]phosphanium
CID 86735910
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol?
The IUPAC name of 1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol (CID 82266357) is 1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol is CCCOc1cc(C)c(C(O)CC)c(C)c1C.
What is the InChIKey of 1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol?
The InChIKey is SUVNHCCOKQYQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-8-17-14-9-10(3)15(13(16)7-2)12(5)11(14)4/h9,13,16H,6-8H2,1-5H3.
What are the key properties of 1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol?
1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 82266357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).