[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol

C16H18O5S — CID 142526629

IUPAC[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol
SMILESCOc1ccc(COc2ccc(CO)cc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H18O5S/c1-20-14-6-3-12(4-7-14)11-21-15-8-5-13(10-17)9-16(15)22(2,18)19/h3-9,17H,10-11H2,1-2H3
InChIKeyZVOOUXGMORRSOO-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.17
Rot. Bonds6

About [4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol

[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol (PubChem CID 142526629) has the molecular formula C16H18O5S and a molecular weight of 322.38 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol
PubChem CID142526629
Molecular FormulaC16H18O5S
Molecular Weight322.38 g/mol
Exact Mass322.09
IUPAC Name[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol
SMILESCOc1ccc(COc2ccc(CO)cc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H18O5S/c1-20-14-6-3-12(4-7-14)11-21-15-8-5-13(10-17)9-16(15)22(2,18)19/h3-9,17H,10-11H2,1-2H3
InChIKeyZVOOUXGMORRSOO-UHFFFAOYSA-N
XLogP2.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol?
The IUPAC name of [4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol (CID 142526629) is [4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol.
What is the SMILES notation for [4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol?
The canonical SMILES for [4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol is COc1ccc(COc2ccc(CO)cc2S(C)(=O)=O)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol?
The InChIKey is ZVOOUXGMORRSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5S/c1-20-14-6-3-12(4-7-14)11-21-15-8-5-13(10-17)9-16(15)22(2,18)19/h3-9,17H,10-11H2,1-2H3.
What are the key properties of [4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol?
[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol has a molecular weight of 322.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol is sourced from PubChem (CID 142526629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).