4-(4-bromo-2-ethylphenyl)phenol

C14H13BrO — CID 118355100

IUPAC4-(4-bromo-2-ethylphenyl)phenol
SMILESCCc1cc(Br)ccc1-c1ccc(O)cc1
InChIInChI=1S/C14H13BrO/c1-2-10-9-12(15)5-8-14(10)11-3-6-13(16)7-4-11/h3-9,16H,2H2,1H3
InChIKeyLTIXCFPRNQZQLQ-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.38
Rot. Bonds2

About 4-(4-bromo-2-ethylphenyl)phenol

4-(4-bromo-2-ethylphenyl)phenol (PubChem CID 118355100) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 4-(4-bromo-2-ethylphenyl)phenol.

Molecular Properties

Compound Name4-(4-bromo-2-ethylphenyl)phenol
PubChem CID118355100
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name4-(4-bromo-2-ethylphenyl)phenol
SMILESCCc1cc(Br)ccc1-c1ccc(O)cc1
InChIInChI=1S/C14H13BrO/c1-2-10-9-12(15)5-8-14(10)11-3-6-13(16)7-4-11/h3-9,16H,2H2,1H3
InChIKeyLTIXCFPRNQZQLQ-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-ethylphenyl)phenol?
The IUPAC name of 4-(4-bromo-2-ethylphenyl)phenol (CID 118355100) is 4-(4-bromo-2-ethylphenyl)phenol.
What is the SMILES notation for 4-(4-bromo-2-ethylphenyl)phenol?
The canonical SMILES for 4-(4-bromo-2-ethylphenyl)phenol is CCc1cc(Br)ccc1-c1ccc(O)cc1.
What is the InChIKey of 4-(4-bromo-2-ethylphenyl)phenol?
The InChIKey is LTIXCFPRNQZQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-2-10-9-12(15)5-8-14(10)11-3-6-13(16)7-4-11/h3-9,16H,2H2,1H3.
What are the key properties of 4-(4-bromo-2-ethylphenyl)phenol?
4-(4-bromo-2-ethylphenyl)phenol has a molecular weight of 277.16 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-ethylphenyl)phenol is sourced from PubChem (CID 118355100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).