3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol

C11H16O4S — CID 117219444

IUPAC3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol
SMILESCOc1cc(O)ccc1CS(=O)(=O)C(C)C
InChIInChI=1S/C11H16O4S/c1-8(2)16(13,14)7-9-4-5-10(12)6-11(9)15-3/h4-6,8,12H,7H2,1-3H3
InChIKeyNCOOZWQBVZGIFI-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.72
Rot. Bonds4

About 3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol

3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol (PubChem CID 117219444) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol.

Molecular Properties

Compound Name3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol
PubChem CID117219444
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol
SMILESCOc1cc(O)ccc1CS(=O)(=O)C(C)C
InChIInChI=1S/C11H16O4S/c1-8(2)16(13,14)7-9-4-5-10(12)6-11(9)15-3/h4-6,8,12H,7H2,1-3H3
InChIKeyNCOOZWQBVZGIFI-UHFFFAOYSA-N
XLogP1.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
4-(fluoromethyl)-3-methoxyphenol
CID 91883535
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 139808083
4-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865239
(4-amino-2-methoxyphenyl)methanesulfonic acid
CID 139537446
3-methoxy-4-[(4-methylphenoxy)methyl]phenol
CID 117219725
1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol
CID 117176675
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
4-[(2-bromophenoxy)methyl]-3-methoxyphenol
CID 117219537
3-methoxy-4-(2-methylpentan-3-yl)phenol
CID 138474413

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol?
The IUPAC name of 3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol (CID 117219444) is 3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol.
What is the SMILES notation for 3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol?
The canonical SMILES for 3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol is COc1cc(O)ccc1CS(=O)(=O)C(C)C.
What is the InChIKey of 3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol?
The InChIKey is NCOOZWQBVZGIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-8(2)16(13,14)7-9-4-5-10(12)6-11(9)15-3/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol?
3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol has a molecular weight of 244.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol is sourced from PubChem (CID 117219444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).