1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol

C34H45NO — CID 58184167

IUPAC1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol
SMILESCCc1cncc(-c2ccc(C(CC)(CC)c3ccc(CCC4(O)CCCCC4)c(C)c3)cc2C)c1
InChIInChI=1S/C34H45NO/c1-6-27-22-29(24-35-23-27)32-15-14-31(21-26(32)5)34(7-2,8-3)30-13-12-28(25(4)20-30)16-19-33(36)17-10-9-11-18-33/h12-15,20-24,36H,6-11,16-19H2,1-5H3
InChIKeyISKHAVSBJZUAFO-UHFFFAOYSA-N
MW483.74 g/mol
LogP8.66
Rot. Bonds9

About 1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol

1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol (PubChem CID 58184167) has the molecular formula C34H45NO and a molecular weight of 483.74 g/mol. Its IUPAC name is 1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol
PubChem CID58184167
Molecular FormulaC34H45NO
Molecular Weight483.74 g/mol
Exact Mass483.35
IUPAC Name1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol
SMILESCCc1cncc(-c2ccc(C(CC)(CC)c3ccc(CCC4(O)CCCCC4)c(C)c3)cc2C)c1
InChIInChI=1S/C34H45NO/c1-6-27-22-29(24-35-23-27)32-15-14-31(21-26(32)5)34(7-2,8-3)30-13-12-28(25(4)20-30)16-19-33(36)17-10-9-11-18-33/h12-15,20-24,36H,6-11,16-19H2,1-5H3
InChIKeyISKHAVSBJZUAFO-UHFFFAOYSA-N
XLogP8.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol (CID 58184167) is 1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol is CCc1cncc(-c2ccc(C(CC)(CC)c3ccc(CCC4(O)CCCCC4)c(C)c3)cc2C)c1.
What is the InChIKey of 1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol?
The InChIKey is ISKHAVSBJZUAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45NO/c1-6-27-22-29(24-35-23-27)32-15-14-31(21-26(32)5)34(7-2,8-3)30-13-12-28(25(4)20-30)16-19-33(36)17-10-9-11-18-33/h12-15,20-24,36H,6-11,16-19H2,1-5H3.
What are the key properties of 1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol?
1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol has a molecular weight of 483.74 g/mol, XLogP of 8.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-[4-(5-ethyl-3-pyridinyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 58184167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).