(Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol

C23H30O3S — CID 10643896

IUPAC(Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol
SMILESCCCCCCCC/C(=C/C(O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H30O3S/c1-2-3-4-5-6-11-18-22(19-23(24)20-14-9-7-10-15-20)27(25,26)21-16-12-8-13-17-21/h7-10,12-17,19,23-24H,2-6,11,18H2,1H3/b22-19-
InChIKeyZGHVLNAXJGYUJL-QOCHGBHMSA-N
MW386.56 g/mol
LogP5.83
Rot. Bonds11

About (Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol

(Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol (PubChem CID 10643896) has the molecular formula C23H30O3S and a molecular weight of 386.56 g/mol. Its IUPAC name is (Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol
PubChem CID10643896
Molecular FormulaC23H30O3S
Molecular Weight386.56 g/mol
Exact Mass386.19
IUPAC Name(Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol
SMILESCCCCCCCC/C(=C/C(O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H30O3S/c1-2-3-4-5-6-11-18-22(19-23(24)20-14-9-7-10-15-20)27(25,26)21-16-12-8-13-17-21/h7-10,12-17,19,23-24H,2-6,11,18H2,1H3/b22-19-
InChIKeyZGHVLNAXJGYUJL-QOCHGBHMSA-N
XLogP5.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol?
The IUPAC name of (Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol (CID 10643896) is (Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol.
What is the SMILES notation for (Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol?
The canonical SMILES for (Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol is CCCCCCCC/C(=C/C(O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol?
The InChIKey is ZGHVLNAXJGYUJL-QOCHGBHMSA-N. The full InChI is InChI=1S/C23H30O3S/c1-2-3-4-5-6-11-18-22(19-23(24)20-14-9-7-10-15-20)27(25,26)21-16-12-8-13-17-21/h7-10,12-17,19,23-24H,2-6,11,18H2,1H3/b22-19-.
What are the key properties of (Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol?
(Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol has a molecular weight of 386.56 g/mol, XLogP of 5.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol is sourced from PubChem (CID 10643896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).