(2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol

C16H26OS — CID 15257345

IUPAC(2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol
SMILESCC(C)[C@@H](O)[C@H](Cc1ccccc1)SC(C)(C)C
InChIInChI=1S/C16H26OS/c1-12(2)15(17)14(18-16(3,4)5)11-13-9-7-6-8-10-13/h6-10,12,14-15,17H,11H2,1-5H3/t14-,15+/m0/s1
InChIKeyNFHPCPYTACHLQP-LSDHHAIUSA-N
MW266.45 g/mol
LogP4.15
Rot. Bonds5

About (2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol

(2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol (PubChem CID 15257345) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is (2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol
PubChem CID15257345
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name(2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol
SMILESCC(C)[C@@H](O)[C@H](Cc1ccccc1)SC(C)(C)C
InChIInChI=1S/C16H26OS/c1-12(2)15(17)14(18-16(3,4)5)11-13-9-7-6-8-10-13/h6-10,12,14-15,17H,11H2,1-5H3/t14-,15+/m0/s1
InChIKeyNFHPCPYTACHLQP-LSDHHAIUSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-(2-Methylpropyl)benzeneethanol
CID 62661
Phenylisohexanol
CID 108312
2-Benzylheptan-1-ol
CID 64916
4-Phenylpentan-2-ol
CID 3018736
Benzenepropanol, alpha,beta-dimethyl-
CID 92543
3-Methyl-1-phenylbutan-2-ol
CID 98019
2-Methyl-5-phenylpentanol
CID 5463791
4-Hydroxy-1-phenylpentane
CID 102788
7-Phenylheptan-3-ol
CID 10943339
4-Methyl-6-phenylhexan-2-ol
CID 64721672
2-((2-Phenylethyl)thio)ethanol
CID 19605
2-Benzylhexan-1-ol
CID 348610

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol?
The IUPAC name of (2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol (CID 15257345) is (2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol.
What is the SMILES notation for (2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol?
The canonical SMILES for (2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol is CC(C)[C@@H](O)[C@H](Cc1ccccc1)SC(C)(C)C.
What is the InChIKey of (2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol?
The InChIKey is NFHPCPYTACHLQP-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H26OS/c1-12(2)15(17)14(18-16(3,4)5)11-13-9-7-6-8-10-13/h6-10,12,14-15,17H,11H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of (2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol?
(2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol has a molecular weight of 266.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol is sourced from PubChem (CID 15257345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).