2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol

C18H21BrO2 — CID 79445511

IUPAC2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol
SMILESCCc1ccc(CC(CO)(CO)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrO2/c1-2-14-3-5-15(6-4-14)11-18(12-20,13-21)16-7-9-17(19)10-8-16/h3-10,20-21H,2,11-13H2,1H3
InChIKeyUOMVBTMDGBKSFI-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.48
Rot. Bonds6

About 2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol

2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol (PubChem CID 79445511) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol
PubChem CID79445511
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol
SMILESCCc1ccc(CC(CO)(CO)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrO2/c1-2-14-3-5-15(6-4-14)11-18(12-20,13-21)16-7-9-17(19)10-8-16/h3-10,20-21H,2,11-13H2,1H3
InChIKeyUOMVBTMDGBKSFI-UHFFFAOYSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-4-fluorophenyl)methyl]-2-(4-bromophenyl)propane-1,3-diol
CID 79445490
1-bromo-4-ethylbenzene
CID 15313
2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
CID 106324292
1-bromo-4-ethylbenzene;N-methylmethanamine
CID 143984882
2-(4-bromophenyl)-2-(2-methylpentyl)propane-1,3-diol
CID 79447915
3-(4-ethylphenyl)-2,2-dimethylpropan-1-ol
CID 21254615
2-(4-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diol
CID 79447916
2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911
1-bromo-3-[1-bromo-2-(bromomethyl)-3-(4-ethylphenyl)propan-2-yl]benzene
CID 79444048
2-[(3-bromophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79450772
2-(4-bromophenyl)-2-(2-propylsulfonylethyl)propane-1,3-diol
CID 106734821

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol (CID 79445511) is 2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol is CCc1ccc(CC(CO)(CO)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol?
The InChIKey is UOMVBTMDGBKSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-2-14-3-5-15(6-4-14)11-18(12-20,13-21)16-7-9-17(19)10-8-16/h3-10,20-21H,2,11-13H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol?
2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol has a molecular weight of 349.27 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 79445511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).