(4-methylsulfanylphenyl)-naphthalen-2-ylmethanol

C18H16OS — CID 69059918

IUPAC(4-methylsulfanylphenyl)-naphthalen-2-ylmethanol
SMILESCSc1ccc(C(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H16OS/c1-20-17-10-8-14(9-11-17)18(19)16-7-6-13-4-2-3-5-15(13)12-16/h2-12,18-19H,1H3
InChIKeyQQECSWCJSQHHCV-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.64
Rot. Bonds3

About (4-methylsulfanylphenyl)-naphthalen-2-ylmethanol

(4-methylsulfanylphenyl)-naphthalen-2-ylmethanol (PubChem CID 69059918) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-naphthalen-2-ylmethanol
PubChem CID69059918
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name(4-methylsulfanylphenyl)-naphthalen-2-ylmethanol
SMILESCSc1ccc(C(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H16OS/c1-20-17-10-8-14(9-11-17)18(19)16-7-6-13-4-2-3-5-15(13)12-16/h2-12,18-19H,1H3
InChIKeyQQECSWCJSQHHCV-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-naphthalen-2-ylmethanol?
The IUPAC name of (4-methylsulfanylphenyl)-naphthalen-2-ylmethanol (CID 69059918) is (4-methylsulfanylphenyl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (4-methylsulfanylphenyl)-naphthalen-2-ylmethanol?
The canonical SMILES for (4-methylsulfanylphenyl)-naphthalen-2-ylmethanol is CSc1ccc(C(O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-naphthalen-2-ylmethanol?
The InChIKey is QQECSWCJSQHHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c1-20-17-10-8-14(9-11-17)18(19)16-7-6-13-4-2-3-5-15(13)12-16/h2-12,18-19H,1H3.
What are the key properties of (4-methylsulfanylphenyl)-naphthalen-2-ylmethanol?
(4-methylsulfanylphenyl)-naphthalen-2-ylmethanol has a molecular weight of 280.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 69059918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).