4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol

C16H18O2 — CID 101302577

IUPAC4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol
SMILESCCc1cccc(-c2c(CC)ccc(O)c2O)c1
InChIInChI=1S/C16H18O2/c1-3-11-6-5-7-13(10-11)15-12(4-2)8-9-14(17)16(15)18/h5-10,17-18H,3-4H2,1-2H3
InChIKeyTUDSUUNNLPNLJV-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.89
Rot. Bonds3

About 4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol

4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol (PubChem CID 101302577) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol
PubChem CID101302577
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol
SMILESCCc1cccc(-c2c(CC)ccc(O)c2O)c1
InChIInChI=1S/C16H18O2/c1-3-11-6-5-7-13(10-11)15-12(4-2)8-9-14(17)16(15)18/h5-10,17-18H,3-4H2,1-2H3
InChIKeyTUDSUUNNLPNLJV-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol
CID 101302818
3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol
CID 101302583
2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol
CID 101303320
4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303274
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
2,3-diethyl-4-(3-ethylphenyl)phenol
CID 101302434
3-(3,4-diethylphenyl)benzene-1,2-diol
CID 101302625
4-(2,6-diethylphenyl)-2-methylphenol
CID 154385947
4,6-diethyl-3-(3-hydroxyphenyl)benzene-1,2-diol
CID 101303164
3-(3-ethyl-5-hydroxyphenyl)benzene-1,2-diol
CID 101303037
3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol
CID 101303216
3-(2,3,6-triethylphenyl)phenol
CID 101302512

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol?
The IUPAC name of 4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol (CID 101302577) is 4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol.
What is the SMILES notation for 4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol?
The canonical SMILES for 4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol is CCc1cccc(-c2c(CC)ccc(O)c2O)c1.
What is the InChIKey of 4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol?
The InChIKey is TUDSUUNNLPNLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-11-6-5-7-13(10-11)15-12(4-2)8-9-14(17)16(15)18/h5-10,17-18H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol?
4-ethyl-3-(3-ethylphenyl)benzene-1,2-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 4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol is sourced from PubChem (CID 101302577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).