2,3,6-triethyl-5-phenylphenol

C18H22O — CID 101302393

IUPAC2,3,6-triethyl-5-phenylphenol
SMILESCCc1cc(-c2ccccc2)c(CC)c(O)c1CC
InChIInChI=1S/C18H22O/c1-4-13-12-17(14-10-8-7-9-11-14)16(6-3)18(19)15(13)5-2/h7-12,19H,4-6H2,1-3H3
InChIKeyKJACDKSOGZRFAS-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.75
Rot. Bonds4

About 2,3,6-triethyl-5-phenylphenol

2,3,6-triethyl-5-phenylphenol (PubChem CID 101302393) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,3,6-triethyl-5-phenylphenol.

Molecular Properties

Compound Name2,3,6-triethyl-5-phenylphenol
PubChem CID101302393
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2,3,6-triethyl-5-phenylphenol
SMILESCCc1cc(-c2ccccc2)c(CC)c(O)c1CC
InChIInChI=1S/C18H22O/c1-4-13-12-17(14-10-8-7-9-11-14)16(6-3)18(19)15(13)5-2/h7-12,19H,4-6H2,1-3H3
InChIKeyKJACDKSOGZRFAS-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

2,6-diethyl-3-phenylphenol
CID 101302345
3,4-diethyl-6-(2-ethylphenyl)benzene-1,2-diol
CID 101302756
2,3-diethyl-5-phenylbenzene-1,4-diol
CID 23109186
(2-ethyl-3,5-diphenylphenyl)methanol
CID 172831551
2,5-diethyl-3-phenylbenzene-1,4-diol
CID 101302575
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
2-ethyl-3-phenylphenol;formaldehyde
CID 175490561
3,4-diethyl-5-(4-hydroxyphenyl)phenol
CID 101302689
3-ethyl-4-nonyl-2,6-diphenylphenol
CID 174697041
2,6-diethyl-3-(3-hydroxyphenyl)phenol
CID 101302678
4,5-diethyl-2-phenoxybenzene-1,3-diol
CID 87448022
1,2-diethyl-3-phenylbenzene;oxalonitrile
CID 174716651

Frequently Asked Questions

What is the IUPAC name of 2,3,6-triethyl-5-phenylphenol?
The IUPAC name of 2,3,6-triethyl-5-phenylphenol (CID 101302393) is 2,3,6-triethyl-5-phenylphenol.
What is the SMILES notation for 2,3,6-triethyl-5-phenylphenol?
The canonical SMILES for 2,3,6-triethyl-5-phenylphenol is CCc1cc(-c2ccccc2)c(CC)c(O)c1CC.
What is the InChIKey of 2,3,6-triethyl-5-phenylphenol?
The InChIKey is KJACDKSOGZRFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-4-13-12-17(14-10-8-7-9-11-14)16(6-3)18(19)15(13)5-2/h7-12,19H,4-6H2,1-3H3.
What are the key properties of 2,3,6-triethyl-5-phenylphenol?
2,3,6-triethyl-5-phenylphenol 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 2,3,6-triethyl-5-phenylphenol is sourced from PubChem (CID 101302393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).