1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol

C12H15BrO — CID 106798145

IUPAC1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol
SMILESCC(O)C1(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H15BrO/c1-9(14)12(6-7-12)8-10-2-4-11(13)5-3-10/h2-5,9,14H,6-8H2,1H3
InChIKeyVEPKSXKAHYOQJS-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.15
Rot. Bonds3

About 1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol

1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol (PubChem CID 106798145) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol
PubChem CID106798145
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol
SMILESCC(O)C1(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H15BrO/c1-9(14)12(6-7-12)8-10-2-4-11(13)5-3-10/h2-5,9,14H,6-8H2,1H3
InChIKeyVEPKSXKAHYOQJS-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol?
The IUPAC name of 1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol (CID 106798145) is 1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol is CC(O)C1(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol?
The InChIKey is VEPKSXKAHYOQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-9(14)12(6-7-12)8-10-2-4-11(13)5-3-10/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol?
1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol has a molecular weight of 255.15 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 106798145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).