1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol

C32H49NO3 — CID 143107061

IUPAC1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol
SMILESCCC(CC)(c1ccc(CCC(O)C(C)(C)C)c(C)c1)c1ccc(OC[C@@H]2COC(C)(C)N2)c(C)c1
InChIInChI=1S/C32H49NO3/c1-10-32(11-2,25-14-12-24(22(3)18-25)13-17-29(34)30(5,6)7)26-15-16-28(23(4)19-26)35-20-27-21-36-31(8,9)33-27/h12,14-16,18-19,27,29,33-34H,10-11,13,17,20-21H2,1-9H3/t27-,29?/m1/s1
InChIKeyJZFFQDSIRNDIIH-SCBLGKRXSA-N
MW495.75 g/mol
LogP6.85
Rot. Bonds10

About 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol

1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol (PubChem CID 143107061) has the molecular formula C32H49NO3 and a molecular weight of 495.75 g/mol. Its IUPAC name is 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol
PubChem CID143107061
Molecular FormulaC32H49NO3
Molecular Weight495.75 g/mol
Exact Mass495.37
IUPAC Name1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol
SMILESCCC(CC)(c1ccc(CCC(O)C(C)(C)C)c(C)c1)c1ccc(OC[C@@H]2COC(C)(C)N2)c(C)c1
InChIInChI=1S/C32H49NO3/c1-10-32(11-2,25-14-12-24(22(3)18-25)13-17-29(34)30(5,6)7)26-15-16-28(23(4)19-26)35-20-27-21-36-31(8,9)33-27/h12,14-16,18-19,27,29,33-34H,10-11,13,17,20-21H2,1-9H3/t27-,29?/m1/s1
InChIKeyJZFFQDSIRNDIIH-SCBLGKRXSA-N
XLogP6.85
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.75
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol (CID 143107061) is 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol is CCC(CC)(c1ccc(CCC(O)C(C)(C)C)c(C)c1)c1ccc(OC[C@@H]2COC(C)(C)N2)c(C)c1.
What is the InChIKey of 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol?
The InChIKey is JZFFQDSIRNDIIH-SCBLGKRXSA-N. The full InChI is InChI=1S/C32H49NO3/c1-10-32(11-2,25-14-12-24(22(3)18-25)13-17-29(34)30(5,6)7)26-15-16-28(23(4)19-26)35-20-27-21-36-31(8,9)33-27/h12,14-16,18-19,27,29,33-34H,10-11,13,17,20-21H2,1-9H3/t27-,29?/m1/s1.
What are the key properties of 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol?
1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol has a molecular weight of 495.75 g/mol, XLogP of 6.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 143107061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).