3-(2,3,6-triethylphenyl)phenol

C18H22O — CID 101302512

IUPAC3-(2,3,6-triethylphenyl)phenol
SMILESCCc1ccc(CC)c(-c2cccc(O)c2)c1CC
InChIInChI=1S/C18H22O/c1-4-13-10-11-14(5-2)18(17(13)6-3)15-8-7-9-16(19)12-15/h7-12,19H,4-6H2,1-3H3
InChIKeyIKQNFMQUALHQHL-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.75
Rot. Bonds4

About 3-(2,3,6-triethylphenyl)phenol

3-(2,3,6-triethylphenyl)phenol (PubChem CID 101302512) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(2,3,6-triethylphenyl)phenol.

Molecular Properties

Compound Name3-(2,3,6-triethylphenyl)phenol
PubChem CID101302512
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name3-(2,3,6-triethylphenyl)phenol
SMILESCCc1ccc(CC)c(-c2cccc(O)c2)c1CC
InChIInChI=1S/C18H22O/c1-4-13-10-11-14(5-2)18(17(13)6-3)15-8-7-9-16(19)12-15/h7-12,19H,4-6H2,1-3H3
InChIKeyIKQNFMQUALHQHL-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-diethylphenyl)phenol
CID 101302379
4,6-diethyl-3-(3-hydroxyphenyl)benzene-1,2-diol
CID 101303164
2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol
CID 101303425
2,6-diethyl-3-(3-hydroxyphenyl)phenol
CID 101302678
2-ethyl-4-(3-hydroxyphenyl)phenol
CID 101302560
4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303229
3-(5-chloro-2-ethylphenyl)phenol
CID 142314632
3-(2-ethyl-11-azatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaen-3-yl)phenol
CID 18780640
(2,4-diethyl-3-phenylphenyl)methanamine
CID 174539213
5-(2,3,5-triethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303488
4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol
CID 101302577
3-(4-hydroxyphenyl)phenol;propane
CID 175032185

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,6-triethylphenyl)phenol?
The IUPAC name of 3-(2,3,6-triethylphenyl)phenol (CID 101302512) is 3-(2,3,6-triethylphenyl)phenol.
What is the SMILES notation for 3-(2,3,6-triethylphenyl)phenol?
The canonical SMILES for 3-(2,3,6-triethylphenyl)phenol is CCc1ccc(CC)c(-c2cccc(O)c2)c1CC.
What is the InChIKey of 3-(2,3,6-triethylphenyl)phenol?
The InChIKey is IKQNFMQUALHQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-4-13-10-11-14(5-2)18(17(13)6-3)15-8-7-9-16(19)12-15/h7-12,19H,4-6H2,1-3H3.
What are the key properties of 3-(2,3,6-triethylphenyl)phenol?
3-(2,3,6-triethylphenyl)phenol has a molecular weight of 254.37 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,6-triethylphenyl)phenol is sourced from PubChem (CID 101302512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).