4,5-diethyl-2-phenoxybenzene-1,3-diol

C16H18O3 — CID 87448022

IUPAC4,5-diethyl-2-phenoxybenzene-1,3-diol
SMILESCCc1cc(O)c(Oc2ccccc2)c(O)c1CC
InChIInChI=1S/C16H18O3/c1-3-11-10-14(17)16(15(18)13(11)4-2)19-12-8-6-5-7-9-12/h5-10,17-18H,3-4H2,1-2H3
InChIKeyIZWYDBPYAZXVCL-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.01
Rot. Bonds4

About 4,5-diethyl-2-phenoxybenzene-1,3-diol

4,5-diethyl-2-phenoxybenzene-1,3-diol (PubChem CID 87448022) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4,5-diethyl-2-phenoxybenzene-1,3-diol.

Molecular Properties

Compound Name4,5-diethyl-2-phenoxybenzene-1,3-diol
PubChem CID87448022
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4,5-diethyl-2-phenoxybenzene-1,3-diol
SMILESCCc1cc(O)c(Oc2ccccc2)c(O)c1CC
InChIInChI=1S/C16H18O3/c1-3-11-10-14(17)16(15(18)13(11)4-2)19-12-8-6-5-7-9-12/h5-10,17-18H,3-4H2,1-2H3
InChIKeyIZWYDBPYAZXVCL-UHFFFAOYSA-N
XLogP4.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-phenoxyphenol
CID 66865882
2-ethylnaphthalene-1,4-diol
CID 13077288
2,3,6-triethyl-5-phenylphenol
CID 101302393
2,3,4-triethyl-5-(phenoxymethyl)phenol
CID 151036486
3,4-diethyl-2,6-dihydroxybenzoic acid
CID 141390426
2,5-dihydroxy-3,4-diphenoxybenzoic acid
CID 175281824
2,5-diethyl-3-phenylbenzene-1,4-diol
CID 101302575
3-ethoxy-4,5-diethylbenzene-1,2-diol
CID 154435107
2,3-diphenoxynaphthalene-1,4-diol
CID 19886586
benzene;2-ethylphenol
CID 159726745
3-ethyl-2-(phenoxymethyl)phenol
CID 174805070
8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenoxychromen-4-one
CID 985362

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-phenoxybenzene-1,3-diol?
The IUPAC name of 4,5-diethyl-2-phenoxybenzene-1,3-diol (CID 87448022) is 4,5-diethyl-2-phenoxybenzene-1,3-diol.
What is the SMILES notation for 4,5-diethyl-2-phenoxybenzene-1,3-diol?
The canonical SMILES for 4,5-diethyl-2-phenoxybenzene-1,3-diol is CCc1cc(O)c(Oc2ccccc2)c(O)c1CC.
What is the InChIKey of 4,5-diethyl-2-phenoxybenzene-1,3-diol?
The InChIKey is IZWYDBPYAZXVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-11-10-14(17)16(15(18)13(11)4-2)19-12-8-6-5-7-9-12/h5-10,17-18H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-2-phenoxybenzene-1,3-diol?
4,5-diethyl-2-phenoxybenzene-1,3-diol has a molecular weight of 258.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-phenoxybenzene-1,3-diol is sourced from PubChem (CID 87448022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).