2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol

C17H25BrO — CID 55193773

IUPAC2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C17H25BrO/c1-17(2,3)14-6-9-16(19)13(11-14)10-12-4-7-15(18)8-5-12/h4-5,7-8,13-14,16,19H,6,9-11H2,1-3H3
InChIKeyMOQWWCUJEBEALG-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.81
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol

2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol (PubChem CID 55193773) has the molecular formula C17H25BrO and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol
PubChem CID55193773
Molecular FormulaC17H25BrO
Molecular Weight325.29 g/mol
Exact Mass324.11
IUPAC Name2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C17H25BrO/c1-17(2,3)14-6-9-16(19)13(11-14)10-12-4-7-15(18)8-5-12/h4-5,7-8,13-14,16,19H,6,9-11H2,1-3H3
InChIKeyMOQWWCUJEBEALG-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol (CID 55193773) is 2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol is CC(C)(C)C1CCC(O)C(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol?
The InChIKey is MOQWWCUJEBEALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO/c1-17(2,3)14-6-9-16(19)13(11-14)10-12-4-7-15(18)8-5-12/h4-5,7-8,13-14,16,19H,6,9-11H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol?
2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol has a molecular weight of 325.29 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 55193773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).