(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol

C19H24OS — CID 103960748

IUPAC(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Sc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24OS/c1-5-17(20)16-8-6-7-9-18(16)21-15-12-10-14(11-13-15)19(2,3)4/h6-13,17,20H,5H2,1-4H3/t17-/m1/s1
InChIKeyLYECOTYJALBABM-QGZVFWFLSA-N
MW300.47 g/mol
LogP5.58
Rot. Bonds4

About (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol

(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol (PubChem CID 103960748) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol
PubChem CID103960748
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Sc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24OS/c1-5-17(20)16-8-6-7-9-18(16)21-15-12-10-14(11-13-15)19(2,3)4/h6-13,17,20H,5H2,1-4H3/t17-/m1/s1
InChIKeyLYECOTYJALBABM-QGZVFWFLSA-N
XLogP5.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814608
(1S)-1-(2-tert-butylsulfanylphenyl)propan-1-ol
CID 103960688
(1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol
CID 103960715
2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115786607
(1S)-1-(2-butylsulfanylphenyl)propan-1-ol
CID 103960769
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
(1R)-1-[2-(3-hydroxypropylsulfanyl)phenyl]propan-1-ol
CID 103960848
3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol
CID 103960852
1-methyl-4-(2-pentan-3-ylphenyl)sulfanylbenzene
CID 144864001
2-(4-tert-butylphenyl)sulfanylbenzonitrile
CID 15643695
2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol
CID 101079364

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol (CID 103960748) is (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Sc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol?
The InChIKey is LYECOTYJALBABM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24OS/c1-5-17(20)16-8-6-7-9-18(16)21-15-12-10-14(11-13-15)19(2,3)4/h6-13,17,20H,5H2,1-4H3/t17-/m1/s1.
What are the key properties of (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol?
(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol has a molecular weight of 300.47 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol is sourced from PubChem (CID 103960748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).