4-[2-(2-bromophenyl)ethyl]phenol

C14H13BrO — CID 16638816

IUPAC4-[2-(2-bromophenyl)ethyl]phenol
SMILESOc1ccc(CCc2ccccc2Br)cc1
InChIInChI=1S/C14H13BrO/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-4,6-7,9-10,16H,5,8H2
InChIKeyBHECTVIGSVMWFJ-UHFFFAOYSA-N
MW277.16 g/mol
LogP3.94
Rot. Bonds3

About 4-[2-(2-bromophenyl)ethyl]phenol

4-[2-(2-bromophenyl)ethyl]phenol (PubChem CID 16638816) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 4-[2-(2-bromophenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2-bromophenyl)ethyl]phenol
PubChem CID16638816
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name4-[2-(2-bromophenyl)ethyl]phenol
SMILESOc1ccc(CCc2ccccc2Br)cc1
InChIInChI=1S/C14H13BrO/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-4,6-7,9-10,16H,5,8H2
InChIKeyBHECTVIGSVMWFJ-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 86225102
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
1-bromo-2-[5-(4-bromophenyl)pentyl]benzene
CID 173152219
2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61392226
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol
CID 177465665
2-(2-phenylethyl)phenol;hydrate
CID 157150935
1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
2-[4-[(2-bromophenyl)methylamino]phenyl]ethanol
CID 61236412
(2-bromophenyl)methyl 4-(2-aminoethyl)benzoate
CID 82824669
ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol
CID 143639201
2-[2-(4-bromophenyl)ethyl]benzoic acid
CID 11449587

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenyl)ethyl]phenol?
The IUPAC name of 4-[2-(2-bromophenyl)ethyl]phenol (CID 16638816) is 4-[2-(2-bromophenyl)ethyl]phenol.
What is the SMILES notation for 4-[2-(2-bromophenyl)ethyl]phenol?
The canonical SMILES for 4-[2-(2-bromophenyl)ethyl]phenol is Oc1ccc(CCc2ccccc2Br)cc1.
What is the InChIKey of 4-[2-(2-bromophenyl)ethyl]phenol?
The InChIKey is BHECTVIGSVMWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-4,6-7,9-10,16H,5,8H2.
What are the key properties of 4-[2-(2-bromophenyl)ethyl]phenol?
4-[2-(2-bromophenyl)ethyl]phenol has a molecular weight of 277.16 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenyl)ethyl]phenol is sourced from PubChem (CID 16638816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).