7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol

C14H17BrO — CID 79331056

IUPAC7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1cc(Br)ccc1C1(O)C2CCCCC21
InChIInChI=1S/C14H17BrO/c1-9-8-10(15)6-7-11(9)14(16)12-4-2-3-5-13(12)14/h6-8,12-13,16H,2-5H2,1H3
InChIKeyQAOCIDVLSOYNDS-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.77
Rot. Bonds1

About 7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol

7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79331056) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is 7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79331056
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1cc(Br)ccc1C1(O)C2CCCCC21
InChIInChI=1S/C14H17BrO/c1-9-8-10(15)6-7-11(9)14(16)12-4-2-3-5-13(12)14/h6-8,12-13,16H,2-5H2,1H3
InChIKeyQAOCIDVLSOYNDS-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol (CID 79331056) is 7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol is Cc1cc(Br)ccc1C1(O)C2CCCCC21.
What is the InChIKey of 7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is QAOCIDVLSOYNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO/c1-9-8-10(15)6-7-11(9)14(16)12-4-2-3-5-13(12)14/h6-8,12-13,16H,2-5H2,1H3.
What are the key properties of 7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol?
7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 281.19 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79331056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).