(1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol

C19H24OS — CID 15257346

IUPAC(1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol
SMILESCC(C)(C)S[C@@H](Cc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H24OS/c1-19(2,3)21-17(14-15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13,17-18,20H,14H2,1-3H3/t17-,18+/m0/s1
InChIKeyMXONWOFFCMFYEF-ZWKOTPCHSA-N
MW300.47 g/mol
LogP4.86
Rot. Bonds5

About (1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol

(1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol (PubChem CID 15257346) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is (1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol
PubChem CID15257346
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name(1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol
SMILESCC(C)(C)S[C@@H](Cc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H24OS/c1-19(2,3)21-17(14-15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13,17-18,20H,14H2,1-3H3/t17-,18+/m0/s1
InChIKeyMXONWOFFCMFYEF-ZWKOTPCHSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fenipentol
CID 3338
Benzhydrol
CID 7037
1,2-Diphenylethanol
CID 94178
alpha-Cyclohexylbenzenemethanol
CID 95668
fenipentol, (S)-
CID 6992754
4-Methylbenzhydrol
CID 95377
1-Phenyl-1-hexanol
CID 221292
trans-1,3-Diphenyl-2-propen-1-ol
CID 5712032
4,4'-Dimethylbenzhydrol
CID 279356
(1S)-1-phenylhexan-1-ol
CID 11769111
Thiochroman-4-ol
CID 375102
2-Methylbenzhydrol
CID 95659

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol (CID 15257346) is (1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol is CC(C)(C)S[C@@H](Cc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol?
The InChIKey is MXONWOFFCMFYEF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H24OS/c1-19(2,3)21-17(14-15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13,17-18,20H,14H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol?
(1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol has a molecular weight of 300.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol is sourced from PubChem (CID 15257346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).