2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C15H15BrO2 — CID 656688

IUPAC2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)c(Br)c1
InChIInChI=1S/C15H15BrO2/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,17-18H,1-2H3
InChIKeyVENULINRALIKKV-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.19
Rot. Bonds2

About 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 656688) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID656688
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)c(Br)c1
InChIInChI=1S/C15H15BrO2/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,17-18H,1-2H3
InChIKeyVENULINRALIKKV-UHFFFAOYSA-N
XLogP4.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 656688) is 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is VENULINRALIKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,17-18H,1-2H3.
What are the key properties of 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 307.19 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 656688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).