1-bromo-4-ethylbenzene;phenol

C14H15BrO — CID 174859623

IUPAC1-bromo-4-ethylbenzene;phenol
SMILESCCc1ccc(Br)cc1.Oc1ccccc1
InChIInChI=1S/C8H9Br.C6H6O/c1-2-7-3-5-8(9)6-4-7;7-6-4-2-1-3-5-6/h3-6H,2H2,1H3;1-5,7H
InChIKeyJSCDATUSLGYOBE-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.40
Rot. Bonds1

About 1-bromo-4-ethylbenzene;phenol

1-bromo-4-ethylbenzene;phenol (PubChem CID 174859623) has the molecular formula C14H15BrO and a molecular weight of 279.18 g/mol. Its IUPAC name is 1-bromo-4-ethylbenzene;phenol.

Molecular Properties

Compound Name1-bromo-4-ethylbenzene;phenol
PubChem CID174859623
Molecular FormulaC14H15BrO
Molecular Weight279.18 g/mol
Exact Mass278.03
IUPAC Name1-bromo-4-ethylbenzene;phenol
SMILESCCc1ccc(Br)cc1.Oc1ccccc1
InChIInChI=1S/C8H9Br.C6H6O/c1-2-7-3-5-8(9)6-4-7;7-6-4-2-1-3-5-6/h3-6H,2H2,1H3;1-5,7H
InChIKeyJSCDATUSLGYOBE-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-ethylbenzene
CID 15313
1-bromo-4-ethylbenzene;N-methylmethanamine
CID 143984882
benzene;phenol;propane
CID 157176896
magnesium;4-ethylphenol;hydride
CID 174425334
sodium;4-ethylphenol;hydroxide
CID 160913882
methanol;phenol;propane
CID 91268562
ethylcyclodecapentaene
CID 90861705
3-ethylphenol;4-ethylphenol
CID 70541430
cumene;1,4-diethylbenzene;1-ethyl-4-(4-ethylphenyl)benzene;methane;phenol
CID 159077925
ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene
CID 160505976
ethane;ethylbenzene;methanol
CID 90833594
bromobenzene;ethanol
CID 134249194

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethylbenzene;phenol?
The IUPAC name of 1-bromo-4-ethylbenzene;phenol (CID 174859623) is 1-bromo-4-ethylbenzene;phenol.
What is the SMILES notation for 1-bromo-4-ethylbenzene;phenol?
The canonical SMILES for 1-bromo-4-ethylbenzene;phenol is CCc1ccc(Br)cc1.Oc1ccccc1.
What is the InChIKey of 1-bromo-4-ethylbenzene;phenol?
The InChIKey is JSCDATUSLGYOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br.C6H6O/c1-2-7-3-5-8(9)6-4-7;7-6-4-2-1-3-5-6/h3-6H,2H2,1H3;1-5,7H.
What are the key properties of 1-bromo-4-ethylbenzene;phenol?
1-bromo-4-ethylbenzene;phenol has a molecular weight of 279.18 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethylbenzene;phenol is sourced from PubChem (CID 174859623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).