2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol

C19H18O3S — CID 174302281

IUPAC2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol
SMILESCc1c(O)cc2cc(S(=O)CCc3ccccc3)ccc2c1O
InChIInChI=1S/C19H18O3S/c1-13-18(20)12-15-11-16(7-8-17(15)19(13)21)23(22)10-9-14-5-3-2-4-6-14/h2-8,11-12,20-21H,9-10H2,1H3
InChIKeyNUTXUNRYCHURQU-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.91
Rot. Bonds4

About 2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol

2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol (PubChem CID 174302281) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol.

Molecular Properties

Compound Name2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol
PubChem CID174302281
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Name2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol
SMILESCc1c(O)cc2cc(S(=O)CCc3ccccc3)ccc2c1O
InChIInChI=1S/C19H18O3S/c1-13-18(20)12-15-11-16(7-8-17(15)19(13)21)23(22)10-9-14-5-3-2-4-6-14/h2-8,11-12,20-21H,9-10H2,1H3
InChIKeyNUTXUNRYCHURQU-UHFFFAOYSA-N
XLogP3.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
CID 14025349
1-methyl-4-(2-phenylethylsulfinyl)benzene
CID 14025348
2-methyl-4-(2-phenylethylsulfinyl)aniline
CID 81182411
1-methylsulfonyl-4-[(S)-2-phenylethylsulfinyl]benzene
CID 97320202
3-(2-phenylethylsulfinyl)aniline
CID 81180374
1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene
CID 97222863
1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene
CID 99832944
4-naphthalen-2-ylsulfinylbutanoic acid
CID 61302772
ethane;2-phenylethanesulfinic acid;propane;yttrium
CID 157102993
4-(3-phenylpropylsulfinyl)aniline
CID 61369035
ethyl 3-naphthalen-2-ylsulfinylpropanoate
CID 61302771
3-hexylsulfinylnaphthalen-1-ol
CID 91900118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol?
The IUPAC name of 2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol (CID 174302281) is 2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol.
What is the SMILES notation for 2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol?
The canonical SMILES for 2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol is Cc1c(O)cc2cc(S(=O)CCc3ccccc3)ccc2c1O.
What is the InChIKey of 2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol?
The InChIKey is NUTXUNRYCHURQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3S/c1-13-18(20)12-15-11-16(7-8-17(15)19(13)21)23(22)10-9-14-5-3-2-4-6-14/h2-8,11-12,20-21H,9-10H2,1H3.
What are the key properties of 2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol?
2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol has a molecular weight of 326.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol is sourced from PubChem (CID 174302281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).