1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol

C17H25BrO — CID 112682706

IUPAC1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(C)(C)CC(O)(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C17H25BrO/c1-15(2)10-16(3,4)12-17(19,11-15)9-13-5-7-14(18)8-6-13/h5-8,19H,9-12H2,1-4H3
InChIKeyNKESXNHABXXKTM-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.96
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol

1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol (PubChem CID 112682706) has the molecular formula C17H25BrO and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
PubChem CID112682706
Molecular FormulaC17H25BrO
Molecular Weight325.29 g/mol
Exact Mass324.11
IUPAC Name1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(C)(C)CC(O)(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C17H25BrO/c1-15(2)10-16(3,4)12-17(19,11-15)9-13-5-7-14(18)8-6-13/h5-8,19H,9-12H2,1-4H3
InChIKeyNKESXNHABXXKTM-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol
CID 60893357
1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol
CID 60798328
1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682618
1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699119
1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699934
1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999401
3-[(4-ethylphenyl)methyl]-5,5-dimethylthian-3-ol
CID 79947093
2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 60797695
3-[(4-bromophenyl)methyl]-4,4-dimethylthian-3-ol
CID 79955085
1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol
CID 106798145
5,5-dimethyl-3-[(4-propan-2-ylphenyl)methyl]thian-3-ol
CID 79947185
1-bromo-4-ethylbenzene
CID 15313

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol (CID 112682706) is 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol is CC1(C)CC(C)(C)CC(O)(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The InChIKey is NKESXNHABXXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO/c1-15(2)10-16(3,4)12-17(19,11-15)9-13-5-7-14(18)8-6-13/h5-8,19H,9-12H2,1-4H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol has a molecular weight of 325.29 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 112682706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).