(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol

C19H18OS — CID 102244244

IUPAC(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
SMILESCc1ccc(SC[C@@H](O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H18OS/c1-14-6-10-18(11-7-14)21-13-19(20)17-9-8-15-4-2-3-5-16(15)12-17/h2-12,19-20H,13H2,1H3/t19-/m1/s1
InChIKeyCOMIZVOMJBJUOQ-LJQANCHMSA-N
MW294.42 g/mol
LogP4.97
Rot. Bonds4

About (1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol

(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol (PubChem CID 102244244) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
PubChem CID102244244
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
SMILESCc1ccc(SC[C@@H](O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H18OS/c1-14-6-10-18(11-7-14)21-13-19(20)17-9-8-15-4-2-3-5-16(15)12-17/h2-12,19-20H,13H2,1H3/t19-/m1/s1
InChIKeyCOMIZVOMJBJUOQ-LJQANCHMSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol
CID 116830253
1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
CID 70684265
(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol
CID 101186685
2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol
CID 65136583
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66065568
2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60981309
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
CID 60981441
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66147302

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol?
The IUPAC name of (1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol (CID 102244244) is (1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol.
What is the SMILES notation for (1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol?
The canonical SMILES for (1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol is Cc1ccc(SC[C@@H](O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol?
The InChIKey is COMIZVOMJBJUOQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18OS/c1-14-6-10-18(11-7-14)21-13-19(20)17-9-8-15-4-2-3-5-16(15)12-17/h2-12,19-20H,13H2,1H3/t19-/m1/s1.
What are the key properties of (1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol?
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol has a molecular weight of 294.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol is sourced from PubChem (CID 102244244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).