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

C16H18O2 — CID 101302575

IUPAC2,5-diethyl-3-phenylbenzene-1,4-diol
SMILESCCc1cc(O)c(CC)c(-c2ccccc2)c1O
InChIInChI=1S/C16H18O2/c1-3-11-10-14(17)13(4-2)15(16(11)18)12-8-6-5-7-9-12/h5-10,17-18H,3-4H2,1-2H3
InChIKeyOIEOHTZXBHLVFF-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.89
Rot. Bonds3

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

2,5-diethyl-3-phenylbenzene-1,4-diol (PubChem CID 101302575) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,5-diethyl-3-phenylbenzene-1,4-diol.

Molecular Properties

Compound Name2,5-diethyl-3-phenylbenzene-1,4-diol
PubChem CID101302575
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2,5-diethyl-3-phenylbenzene-1,4-diol
SMILESCCc1cc(O)c(CC)c(-c2ccccc2)c1O
InChIInChI=1S/C16H18O2/c1-3-11-10-14(17)13(4-2)15(16(11)18)12-8-6-5-7-9-12/h5-10,17-18H,3-4H2,1-2H3
InChIKeyOIEOHTZXBHLVFF-UHFFFAOYSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

CID 175980363
CID 175980363
5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid
CID 175195543
5-(2,3,5-triethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303488
2,3-diethyl-5-phenylbenzene-1,4-diol
CID 23109186
3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol
CID 101302759
methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
CID 87660795
2,3,6-triethyl-5-phenylphenol
CID 101302393
2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol
CID 101302795
2-ethylnaphthalene-1,4-diol
CID 13077288
4,6-diethyl-5-(4-hydroxyphenyl)benzene-1,3-diol
CID 101303207
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
2,6-diethyl-3-phenylphenol
CID 101302345

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-phenylbenzene-1,4-diol?
The IUPAC name of 2,5-diethyl-3-phenylbenzene-1,4-diol (CID 101302575) is 2,5-diethyl-3-phenylbenzene-1,4-diol.
What is the SMILES notation for 2,5-diethyl-3-phenylbenzene-1,4-diol?
The canonical SMILES for 2,5-diethyl-3-phenylbenzene-1,4-diol is CCc1cc(O)c(CC)c(-c2ccccc2)c1O.
What is the InChIKey of 2,5-diethyl-3-phenylbenzene-1,4-diol?
The InChIKey is OIEOHTZXBHLVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-11-10-14(17)13(4-2)15(16(11)18)12-8-6-5-7-9-12/h5-10,17-18H,3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-3-phenylbenzene-1,4-diol?
2,5-diethyl-3-phenylbenzene-1,4-diol has a molecular weight of 242.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-phenylbenzene-1,4-diol is sourced from PubChem (CID 101302575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).