1-(3-bromophenyl)-1-(4-propylphenyl)ethanol

C17H19BrO — CID 63406796

IUPAC1-(3-bromophenyl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(C)(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrO/c1-3-5-13-8-10-14(11-9-13)17(2,19)15-6-4-7-16(18)12-15/h4,6-12,19H,3,5H2,1-2H3
InChIKeyHWEOOHKIFQZYDM-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.66
Rot. Bonds4

About 1-(3-bromophenyl)-1-(4-propylphenyl)ethanol

1-(3-bromophenyl)-1-(4-propylphenyl)ethanol (PubChem CID 63406796) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-propylphenyl)ethanol
PubChem CID63406796
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-(3-bromophenyl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(C)(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrO/c1-3-5-13-8-10-14(11-9-13)17(2,19)15-6-4-7-16(18)12-15/h4,6-12,19H,3,5H2,1-2H3
InChIKeyHWEOOHKIFQZYDM-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-1-(3-propylphenyl)ethanol
CID 116542276
1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 55187138
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
1-(4-heptylphenyl)-1-phenylethanol
CID 59545473
3-(3-bromophenyl)pentan-3-ol
CID 57443482
2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773970
1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 63975243
2-(3-bromophenyl)nonan-2-ol
CID 65144812
3-[1-hydroxy-1-(3-propylphenyl)ethyl]benzonitrile
CID 116542774
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-propylphenyl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-1-(4-propylphenyl)ethanol (CID 63406796) is 1-(3-bromophenyl)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(C)(O)c2cccc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-propylphenyl)ethanol?
The InChIKey is HWEOOHKIFQZYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-3-5-13-8-10-14(11-9-13)17(2,19)15-6-4-7-16(18)12-15/h4,6-12,19H,3,5H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(4-propylphenyl)ethanol?
1-(3-bromophenyl)-1-(4-propylphenyl)ethanol has a molecular weight of 319.24 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 63406796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).