5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol

C24H34O3S — CID 10092534

IUPAC5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol
SMILESCC(CO)(CCCS(=O)CCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O3S/c1-23(19-25,21-11-5-3-6-12-21)15-9-17-28(27)18-10-16-24(2,20-26)22-13-7-4-8-14-22/h3-8,11-14,25-26H,9-10,15-20H2,1-2H3
InChIKeyJSOCMLGSQVOMQK-UHFFFAOYSA-N
MW402.60 g/mol
LogP4.20
Rot. Bonds12

About 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol

5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol (PubChem CID 10092534) has the molecular formula C24H34O3S and a molecular weight of 402.60 g/mol. Its IUPAC name is 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol.

Molecular Properties

Compound Name5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol
PubChem CID10092534
Molecular FormulaC24H34O3S
Molecular Weight402.60 g/mol
Exact Mass402.22
IUPAC Name5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol
SMILESCC(CO)(CCCS(=O)CCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O3S/c1-23(19-25,21-11-5-3-6-12-21)15-9-17-28(27)18-10-16-24(2,20-26)22-13-7-4-8-14-22/h3-8,11-14,25-26H,9-10,15-20H2,1-2H3
InChIKeyJSOCMLGSQVOMQK-UHFFFAOYSA-N
XLogP4.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
(3S,4S,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11538009
(3S,4S,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11639352
1-(Benzylsulfonyl)-2-phenyl-2-propanol
CID 4255750
6-(6-Hydroxy-5-methyl-5-phenylhexylsulfinyl)-2-methyl-2-phenylhexan-1-ol
CID 9980142
5-(5-Hydroxy-4-methyl-4-phenylpentylsulfanyl)-2-methyl-2-phenylpentan-1-ol
CID 10156997
6-(6-Hydroxy-5-methyl-5-phenylhexylsulfanyl)-2-methyl-2-phenylhexan-1-ol
CID 10201894
(3S,4R,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11717697
2-(Dodecylsulfinyl)-1-phenylethanol
CID 3660327
1-(1-Hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol
CID 163195816
(3s,5s)-3,5-Dibenzyl-3,5-bis(hydroxymethyl)-1-oxo-thian-4-ol
CID 474118
(2R,3S)-3-fluoro-2-octylsulfonyl-3-phenylpropan-1-ol
CID 102600139

Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol?
The IUPAC name of 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol (CID 10092534) is 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol.
What is the SMILES notation for 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol?
The canonical SMILES for 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol is CC(CO)(CCCS(=O)CCCC(C)(CO)c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol?
The InChIKey is JSOCMLGSQVOMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3S/c1-23(19-25,21-11-5-3-6-12-21)15-9-17-28(27)18-10-16-24(2,20-26)22-13-7-4-8-14-22/h3-8,11-14,25-26H,9-10,15-20H2,1-2H3.
What are the key properties of 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol?
5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol has a molecular weight of 402.60 g/mol, XLogP of 4.20, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol is sourced from PubChem (CID 10092534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).