1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol

C14H19BrO — CID 117455081

IUPAC1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol
SMILESCCC(CC)c1ccc(C2(O)CC2)cc1Br
InChIInChI=1S/C14H19BrO/c1-3-10(4-2)12-6-5-11(9-13(12)15)14(16)7-8-14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyNXBXXZHFUWVFJR-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.33
Rot. Bonds4

About 1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol

1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol (PubChem CID 117455081) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol
PubChem CID117455081
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol
SMILESCCC(CC)c1ccc(C2(O)CC2)cc1Br
InChIInChI=1S/C14H19BrO/c1-3-10(4-2)12-6-5-11(9-13(12)15)14(16)7-8-14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyNXBXXZHFUWVFJR-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol (CID 117455081) is 1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol is CCC(CC)c1ccc(C2(O)CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol?
The InChIKey is NXBXXZHFUWVFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-3-10(4-2)12-6-5-11(9-13(12)15)14(16)7-8-14/h5-6,9-10,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol?
1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol has a molecular weight of 283.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117455081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).