5-(2-ethylphenyl)benzene-1,3-diol

C14H14O2 — CID 101302537

IUPAC5-(2-ethylphenyl)benzene-1,3-diol
SMILESCCc1ccccc1-c1cc(O)cc(O)c1
InChIInChI=1S/C14H14O2/c1-2-10-5-3-4-6-14(10)11-7-12(15)9-13(16)8-11/h3-9,15-16H,2H2,1H3
InChIKeyBQGCNPZNZOHAMC-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.33
Rot. Bonds2

About 5-(2-ethylphenyl)benzene-1,3-diol

5-(2-ethylphenyl)benzene-1,3-diol (PubChem CID 101302537) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-(2-ethylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2-ethylphenyl)benzene-1,3-diol
PubChem CID101302537
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name5-(2-ethylphenyl)benzene-1,3-diol
SMILESCCc1ccccc1-c1cc(O)cc(O)c1
InChIInChI=1S/C14H14O2/c1-2-10-5-3-4-6-14(10)11-7-12(15)9-13(16)8-11/h3-9,15-16H,2H2,1H3
InChIKeyBQGCNPZNZOHAMC-UHFFFAOYSA-N
XLogP3.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)benzene-1,3-diol?
The IUPAC name of 5-(2-ethylphenyl)benzene-1,3-diol (CID 101302537) is 5-(2-ethylphenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(2-ethylphenyl)benzene-1,3-diol?
The canonical SMILES for 5-(2-ethylphenyl)benzene-1,3-diol is CCc1ccccc1-c1cc(O)cc(O)c1.
What is the InChIKey of 5-(2-ethylphenyl)benzene-1,3-diol?
The InChIKey is BQGCNPZNZOHAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-10-5-3-4-6-14(10)11-7-12(15)9-13(16)8-11/h3-9,15-16H,2H2,1H3.
What are the key properties of 5-(2-ethylphenyl)benzene-1,3-diol?
5-(2-ethylphenyl)benzene-1,3-diol has a molecular weight of 214.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)benzene-1,3-diol is sourced from PubChem (CID 101302537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).