2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol

C16H18O3 — CID 101303262

IUPAC2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol
SMILESCCc1ccc(-c2c(O)cccc2O)c(CC)c1O
InChIInChI=1S/C16H18O3/c1-3-10-8-9-12(11(4-2)16(10)19)15-13(17)6-5-7-14(15)18/h5-9,17-19H,3-4H2,1-2H3
InChIKeyMDFYLGILKUFULP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.60
Rot. Bonds3

About 2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol

2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol (PubChem CID 101303262) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol
PubChem CID101303262
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol
SMILESCCc1ccc(-c2c(O)cccc2O)c(CC)c1O
InChIInChI=1S/C16H18O3/c1-3-10-8-9-12(11(4-2)16(10)19)15-13(17)6-5-7-14(15)18/h5-9,17-19H,3-4H2,1-2H3
InChIKeyMDFYLGILKUFULP-UHFFFAOYSA-N
XLogP3.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol?
The IUPAC name of 2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol (CID 101303262) is 2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol.
What is the SMILES notation for 2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol?
The canonical SMILES for 2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol is CCc1ccc(-c2c(O)cccc2O)c(CC)c1O.
What is the InChIKey of 2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol?
The InChIKey is MDFYLGILKUFULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-10-8-9-12(11(4-2)16(10)19)15-13(17)6-5-7-14(15)18/h5-9,17-19H,3-4H2,1-2H3.
What are the key properties of 2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol?
2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol has a molecular weight of 258.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol is sourced from PubChem (CID 101303262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).