(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol

C16H18O4S — CID 115795717

IUPAC(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
SMILESCCOc1ccccc1C(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H18O4S/c1-3-20-15-7-5-4-6-14(15)16(17)12-8-10-13(11-9-12)21(2,18)19/h4-11,16-17H,3H2,1-2H3
InChIKeyMVKYRJXLALTFLJ-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.57
Rot. Bonds5

About (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol

(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol (PubChem CID 115795717) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
PubChem CID115795717
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
SMILESCCOc1ccccc1C(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H18O4S/c1-3-20-15-7-5-4-6-14(15)16(17)12-8-10-13(11-9-12)21(2,18)19/h4-11,16-17H,3H2,1-2H3
InChIKeyMVKYRJXLALTFLJ-UHFFFAOYSA-N
XLogP2.57
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine
CID 115853675
(3,4-diethylphenyl)-(2-ethoxyphenyl)methanol
CID 115482646
(2-ethoxyphenyl)-(2-ethylphenyl)methanol
CID 63900742
(3,5-dichlorophenyl)-(2-ethoxyphenyl)methanol
CID 63899517
1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 86987230
(2-ethoxyphenyl)-(1H-pyrrol-3-yl)methanol
CID 63750187
1-(2-ethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65145486
(4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol
CID 115795759
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 55551379

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol?
The IUPAC name of (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol (CID 115795717) is (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol.
What is the SMILES notation for (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol?
The canonical SMILES for (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol is CCOc1ccccc1C(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol?
The InChIKey is MVKYRJXLALTFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-3-20-15-7-5-4-6-14(15)16(17)12-8-10-13(11-9-12)21(2,18)19/h4-11,16-17H,3H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol?
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol has a molecular weight of 306.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 115795717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).