4-(5-bromo-2-methylphenyl)cyclohexan-1-ol

C13H17BrO — CID 116963289

IUPAC4-(5-bromo-2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(Br)cc1C1CCC(O)CC1
InChIInChI=1S/C13H17BrO/c1-9-2-5-11(14)8-13(9)10-3-6-12(15)7-4-10/h2,5,8,10,12,15H,3-4,6-7H2,1H3
InChIKeyVIVLGUDICWCHAK-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.78
Rot. Bonds1

About 4-(5-bromo-2-methylphenyl)cyclohexan-1-ol

4-(5-bromo-2-methylphenyl)cyclohexan-1-ol (PubChem CID 116963289) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenyl)cyclohexan-1-ol
PubChem CID116963289
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name4-(5-bromo-2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(Br)cc1C1CCC(O)CC1
InChIInChI=1S/C13H17BrO/c1-9-2-5-11(14)8-13(9)10-3-6-12(15)7-4-10/h2,5,8,10,12,15H,3-4,6-7H2,1H3
InChIKeyVIVLGUDICWCHAK-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(5-bromo-2-methylphenyl)cyclohexan-1-ol (CID 116963289) is 4-(5-bromo-2-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(5-bromo-2-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(5-bromo-2-methylphenyl)cyclohexan-1-ol is Cc1ccc(Br)cc1C1CCC(O)CC1.
What is the InChIKey of 4-(5-bromo-2-methylphenyl)cyclohexan-1-ol?
The InChIKey is VIVLGUDICWCHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-9-2-5-11(14)8-13(9)10-3-6-12(15)7-4-10/h2,5,8,10,12,15H,3-4,6-7H2,1H3.
What are the key properties of 4-(5-bromo-2-methylphenyl)cyclohexan-1-ol?
4-(5-bromo-2-methylphenyl)cyclohexan-1-ol has a molecular weight of 269.18 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 116963289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).