1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol

C18H20BrNO — CID 104801472

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol
SMILESOC1(Cc2cncc(Br)c2)CCCCC1c1ccccc1
InChIInChI=1S/C18H20BrNO/c19-16-10-14(12-20-13-16)11-18(21)9-5-4-8-17(18)15-6-2-1-3-7-15/h1-3,6-7,10,12-13,17,21H,4-5,8-9,11H2
InChIKeyOMUWHJUNVJFJOT-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.48
Rot. Bonds3

About 1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol

1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol (PubChem CID 104801472) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol
PubChem CID104801472
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol
SMILESOC1(Cc2cncc(Br)c2)CCCCC1c1ccccc1
InChIInChI=1S/C18H20BrNO/c19-16-10-14(12-20-13-16)11-18(21)9-5-4-8-17(18)15-6-2-1-3-7-15/h1-3,6-7,10,12-13,17,21H,4-5,8-9,11H2
InChIKeyOMUWHJUNVJFJOT-UHFFFAOYSA-N
XLogP4.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
CID 104735628
1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60797806
1-[(5-bromo-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 113455002
1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60798196
1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine
CID 104802735
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
CID 82870077
2-phenyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222408
1-[(5-bromo-3-pyridinyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 113454948
1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663888
1-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-ol
CID 79734846
1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
CID 79566677

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol (CID 104801472) is 1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol is OC1(Cc2cncc(Br)c2)CCCCC1c1ccccc1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol?
The InChIKey is OMUWHJUNVJFJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-16-10-14(12-20-13-16)11-18(21)9-5-4-8-17(18)15-6-2-1-3-7-15/h1-3,6-7,10,12-13,17,21H,4-5,8-9,11H2.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol?
1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol has a molecular weight of 346.27 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 104801472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).