4-[(3-methylphenyl)sulfonylmethyl]phenol

C14H14O3S — CID 166449787

IUPAC4-[(3-methylphenyl)sulfonylmethyl]phenol
SMILESCc1cccc(S(=O)(=O)Cc2ccc(O)cc2)c1
InChIInChI=1S/C14H14O3S/c1-11-3-2-4-14(9-11)18(16,17)10-12-5-7-13(15)8-6-12/h2-9,15H,10H2,1H3
InChIKeyHTDTUKJEYXNQHK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.67
Rot. Bonds3

About 4-[(3-methylphenyl)sulfonylmethyl]phenol

4-[(3-methylphenyl)sulfonylmethyl]phenol (PubChem CID 166449787) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[(3-methylphenyl)sulfonylmethyl]phenol.

Molecular Properties

Compound Name4-[(3-methylphenyl)sulfonylmethyl]phenol
PubChem CID166449787
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name4-[(3-methylphenyl)sulfonylmethyl]phenol
SMILESCc1cccc(S(=O)(=O)Cc2ccc(O)cc2)c1
InChIInChI=1S/C14H14O3S/c1-11-3-2-4-14(9-11)18(16,17)10-12-5-7-13(15)8-6-12/h2-9,15H,10H2,1H3
InChIKeyHTDTUKJEYXNQHK-UHFFFAOYSA-N
XLogP2.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[(4-hydroxyphenyl)methylsulfonyl]phenyl]sulfonylmethyl]phenol
CID 70503031
4-(3-methylphenyl)sulfonylphenol
CID 19739466
3-[(3-methylphenyl)methylsulfonyl]aniline
CID 81180300
1-[(4-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)benzene
CID 177392501
3-(3-methylphenyl)sulfonylphenol
CID 134285490
5-methyl-2-[(3-methylphenyl)sulfonylmethyl]aniline
CID 173185828
4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol
CID 81201929
1-methyl-3-prop-2-ynylsulfonylbenzene
CID 82368810
4-[(3-methylphenyl)methylsulfonyl]benzoic acid
CID 24710637
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
5-[(3-methylphenyl)sulfonylmethyl]furan-3-carboxylic acid
CID 55053756
N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine
CID 117036397

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)sulfonylmethyl]phenol?
The IUPAC name of 4-[(3-methylphenyl)sulfonylmethyl]phenol (CID 166449787) is 4-[(3-methylphenyl)sulfonylmethyl]phenol.
What is the SMILES notation for 4-[(3-methylphenyl)sulfonylmethyl]phenol?
The canonical SMILES for 4-[(3-methylphenyl)sulfonylmethyl]phenol is Cc1cccc(S(=O)(=O)Cc2ccc(O)cc2)c1.
What is the InChIKey of 4-[(3-methylphenyl)sulfonylmethyl]phenol?
The InChIKey is HTDTUKJEYXNQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-11-3-2-4-14(9-11)18(16,17)10-12-5-7-13(15)8-6-12/h2-9,15H,10H2,1H3.
What are the key properties of 4-[(3-methylphenyl)sulfonylmethyl]phenol?
4-[(3-methylphenyl)sulfonylmethyl]phenol has a molecular weight of 262.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)sulfonylmethyl]phenol is sourced from PubChem (CID 166449787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).