5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol

C18H22O3 — CID 101303487

IUPAC5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol
SMILESCCc1cc(CC)c(-c2cc(O)cc(O)c2)c(O)c1CC
InChIInChI=1S/C18H22O3/c1-4-11-7-12(5-2)17(18(21)16(11)6-3)13-8-14(19)10-15(20)9-13/h7-10,19-21H,4-6H2,1-3H3
InChIKeyHKNZWGNBJBTAGA-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.16
Rot. Bonds4

About 5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol

5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol (PubChem CID 101303487) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol
PubChem CID101303487
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol
SMILESCCc1cc(CC)c(-c2cc(O)cc(O)c2)c(O)c1CC
InChIInChI=1S/C18H22O3/c1-4-11-7-12(5-2)17(18(21)16(11)6-3)13-8-14(19)10-15(20)9-13/h7-10,19-21H,4-6H2,1-3H3
InChIKeyHKNZWGNBJBTAGA-UHFFFAOYSA-N
XLogP4.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3,5-triethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303488
5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol
CID 101303299
4,6-diethyl-3-(3-hydroxyphenyl)benzene-1,2-diol
CID 101303164
3,4-diethyl-5-(4-hydroxyphenyl)phenol
CID 101302689
2,3,6-triethyl-5-phenylphenol
CID 101302393
2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol
CID 101303425
5-(2-ethylphenyl)benzene-1,3-diol
CID 101302537
3-(2,3,6-triethylphenyl)phenol
CID 101302512
5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol
CID 71422766
2,6-diethyl-3-(3-hydroxyphenyl)phenol
CID 101302678
3,4-diethyl-6-(2-ethylphenyl)benzene-1,2-diol
CID 101302756
3-(2,3-diethylphenyl)phenol
CID 101302379

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol?
The IUPAC name of 5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol (CID 101303487) is 5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol?
The canonical SMILES for 5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol is CCc1cc(CC)c(-c2cc(O)cc(O)c2)c(O)c1CC.
What is the InChIKey of 5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol?
The InChIKey is HKNZWGNBJBTAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-11-7-12(5-2)17(18(21)16(11)6-3)13-8-14(19)10-15(20)9-13/h7-10,19-21H,4-6H2,1-3H3.
What are the key properties of 5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol?
5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol has a molecular weight of 286.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol is sourced from PubChem (CID 101303487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).