4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol

C21H19BrO2 — CID 14710986

IUPAC4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H19BrO2/c1-21(2,15-3-9-18(23)10-4-15)16-5-11-19(12-6-16)24-20-13-7-17(22)8-14-20/h3-14,23H,1-2H3
InChIKeyOYNDJJZIMXOQJL-UHFFFAOYSA-N
MW383.29 g/mol
LogP6.27
Rot. Bonds4

About 4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol

4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol (PubChem CID 14710986) has the molecular formula C21H19BrO2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol
PubChem CID14710986
Molecular FormulaC21H19BrO2
Molecular Weight383.29 g/mol
Exact Mass382.06
IUPAC Name4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H19BrO2/c1-21(2,15-3-9-18(23)10-4-15)16-5-11-19(12-6-16)24-20-13-7-17(22)8-14-20/h3-14,23H,1-2H3
InChIKeyOYNDJJZIMXOQJL-UHFFFAOYSA-N
XLogP6.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
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bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
CID 159686402
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CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
CID 90444002
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CID 21396474
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-bromo-2-methylpropanoate
CID 101191413
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
1-bromo-4-(4-bromophenoxy)benzene
CID 16305

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol (CID 14710986) is 4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol?
The InChIKey is OYNDJJZIMXOQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrO2/c1-21(2,15-3-9-18(23)10-4-15)16-5-11-19(12-6-16)24-20-13-7-17(22)8-14-20/h3-14,23H,1-2H3.
What are the key properties of 4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol?
4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol has a molecular weight of 383.29 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol is sourced from PubChem (CID 14710986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).