3-(2,4,6-trimethylphenoxy)butan-1-ol

C13H20O2 — CID 82077707

IUPAC3-(2,4,6-trimethylphenoxy)butan-1-ol
SMILESCc1cc(C)c(OC(C)CCO)c(C)c1
InChIInChI=1S/C13H20O2/c1-9-7-10(2)13(11(3)8-9)15-12(4)5-6-14/h7-8,12,14H,5-6H2,1-4H3
InChIKeyONCJIVIBPOGMNC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.76
Rot. Bonds4

About 3-(2,4,6-trimethylphenoxy)butan-1-ol

3-(2,4,6-trimethylphenoxy)butan-1-ol (PubChem CID 82077707) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(2,4,6-trimethylphenoxy)butan-1-ol.

Molecular Properties

Compound Name3-(2,4,6-trimethylphenoxy)butan-1-ol
PubChem CID82077707
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(2,4,6-trimethylphenoxy)butan-1-ol
SMILESCc1cc(C)c(OC(C)CCO)c(C)c1
InChIInChI=1S/C13H20O2/c1-9-7-10(2)13(11(3)8-9)15-12(4)5-6-14/h7-8,12,14H,5-6H2,1-4H3
InChIKeyONCJIVIBPOGMNC-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
3-(3,5-dimethoxyphenoxy)butan-1-ol
CID 112508096
5-(chloromethyl)-1,3-dimethyl-2-pentan-2-yloxybenzene
CID 107896120
4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid
CID 65454291
3-[(2,4,6-trimethylphenyl)methylsulfanyl]butan-1-ol
CID 66137036
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757
3-amino-3-(2-bromo-4,6-dimethylphenyl)propan-1-ol
CID 84805872
2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
CID 82267526
N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890682
4-chloro-4-(2-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 82366992

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylphenoxy)butan-1-ol?
The IUPAC name of 3-(2,4,6-trimethylphenoxy)butan-1-ol (CID 82077707) is 3-(2,4,6-trimethylphenoxy)butan-1-ol.
What is the SMILES notation for 3-(2,4,6-trimethylphenoxy)butan-1-ol?
The canonical SMILES for 3-(2,4,6-trimethylphenoxy)butan-1-ol is Cc1cc(C)c(OC(C)CCO)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylphenoxy)butan-1-ol?
The InChIKey is ONCJIVIBPOGMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-7-10(2)13(11(3)8-9)15-12(4)5-6-14/h7-8,12,14H,5-6H2,1-4H3.
What are the key properties of 3-(2,4,6-trimethylphenoxy)butan-1-ol?
3-(2,4,6-trimethylphenoxy)butan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylphenoxy)butan-1-ol is sourced from PubChem (CID 82077707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).