5-(2,4,6-trimethylphenoxy)pentan-1-ol

C14H22O2 — CID 62228821

IUPAC5-(2,4,6-trimethylphenoxy)pentan-1-ol
SMILESCc1cc(C)c(OCCCCCO)c(C)c1
InChIInChI=1S/C14H22O2/c1-11-9-12(2)14(13(3)10-11)16-8-6-4-5-7-15/h9-10,15H,4-8H2,1-3H3
InChIKeyMDBYOPBFPSMAGC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.15
Rot. Bonds6

About 5-(2,4,6-trimethylphenoxy)pentan-1-ol

5-(2,4,6-trimethylphenoxy)pentan-1-ol (PubChem CID 62228821) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(2,4,6-trimethylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(2,4,6-trimethylphenoxy)pentan-1-ol
PubChem CID62228821
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-(2,4,6-trimethylphenoxy)pentan-1-ol
SMILESCc1cc(C)c(OCCCCCO)c(C)c1
InChIInChI=1S/C14H22O2/c1-11-9-12(2)14(13(3)10-11)16-8-6-4-5-7-15/h9-10,15H,4-8H2,1-3H3
InChIKeyMDBYOPBFPSMAGC-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl-[5-(2,4,6-trimethylphenoxy)pentyl]azanium
CID 2249854
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
4-(6-hydroxyhexoxy)-3,5-dimethylbenzonitrile
CID 103867927
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
5-(2,4,6-trimethylphenoxy)pentanethioamide
CID 54966598
ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
CID 91115975
(4-heptoxy-3,5-dimethylphenyl)methanol
CID 43129630
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
CID 62597342
4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol
CID 10659422
10-[3,6,7,10,11-pentakis(10-hydroxydecoxy)triphenylen-2-yl]oxydecan-1-ol
CID 101376411
5-bromo-2-[4-(4-bromo-2,6-dimethylphenoxy)butoxy]-1,3-dimethylbenzene
CID 58759064

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trimethylphenoxy)pentan-1-ol?
The IUPAC name of 5-(2,4,6-trimethylphenoxy)pentan-1-ol (CID 62228821) is 5-(2,4,6-trimethylphenoxy)pentan-1-ol.
What is the SMILES notation for 5-(2,4,6-trimethylphenoxy)pentan-1-ol?
The canonical SMILES for 5-(2,4,6-trimethylphenoxy)pentan-1-ol is Cc1cc(C)c(OCCCCCO)c(C)c1.
What is the InChIKey of 5-(2,4,6-trimethylphenoxy)pentan-1-ol?
The InChIKey is MDBYOPBFPSMAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11-9-12(2)14(13(3)10-11)16-8-6-4-5-7-15/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 5-(2,4,6-trimethylphenoxy)pentan-1-ol?
5-(2,4,6-trimethylphenoxy)pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trimethylphenoxy)pentan-1-ol is sourced from PubChem (CID 62228821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).