4-[1-(benzenesulfonyl)ethyl]phenol

C14H14O3S — CID 44605384

IUPAC4-[1-(benzenesulfonyl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14O3S/c1-11(12-7-9-13(15)10-8-12)18(16,17)14-5-3-2-4-6-14/h2-11,15H,1H3
InChIKeyPZFAQQZKVBRBLR-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.93
Rot. Bonds3

About 4-[1-(benzenesulfonyl)ethyl]phenol

4-[1-(benzenesulfonyl)ethyl]phenol (PubChem CID 44605384) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)ethyl]phenol
PubChem CID44605384
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name4-[1-(benzenesulfonyl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14O3S/c1-11(12-7-9-13(15)10-8-12)18(16,17)14-5-3-2-4-6-14/h2-11,15H,1H3
InChIKeyPZFAQQZKVBRBLR-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(benzenesulfonyl)ethyl]-4-nitrobenzene
CID 4570430
1-[4-(1-phenylethylsulfonyl)phenyl]ethanone
CID 82165495
1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene
CID 139197599
bis(4-[3-(4-hydroxyphenyl)butan-2-yl]phenol);phenol
CID 161418686
methane;methylsulfonylbenzene;4-methylsulfonylphenol
CID 161395670
2-[1-(benzenesulfonyl)ethyl]benzoic acid
CID 5232707
1-phenylethanesulfonic acid
CID 10997746
1-bromoethylsulfonylbenzene
CID 13411545
benzenesulfonyl(phenyl)methanol
CID 174895803
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
1-phenylethanesulfonic acid;hydrochloride
CID 174640646
1-(benzenesulfonyl)-1-chloropropan-2-ol
CID 70438780

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)ethyl]phenol?
The IUPAC name of 4-[1-(benzenesulfonyl)ethyl]phenol (CID 44605384) is 4-[1-(benzenesulfonyl)ethyl]phenol.
What is the SMILES notation for 4-[1-(benzenesulfonyl)ethyl]phenol?
The canonical SMILES for 4-[1-(benzenesulfonyl)ethyl]phenol is CC(c1ccc(O)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[1-(benzenesulfonyl)ethyl]phenol?
The InChIKey is PZFAQQZKVBRBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-11(12-7-9-13(15)10-8-12)18(16,17)14-5-3-2-4-6-14/h2-11,15H,1H3.
What are the key properties of 4-[1-(benzenesulfonyl)ethyl]phenol?
4-[1-(benzenesulfonyl)ethyl]phenol has a molecular weight of 262.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)ethyl]phenol is sourced from PubChem (CID 44605384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).