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

C23H30O3S — CID 135077156

IUPAC(Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol
SMILESCCCCCCCCC(O)/C(=C\S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O3S/c1-2-3-4-5-6-13-18-23(24)22(20-14-9-7-10-15-20)19-27(25,26)21-16-11-8-12-17-21/h7-12,14-17,19,23-24H,2-6,13,18H2,1H3/b22-19-
InChIKeyJICKFHOXXRYRRH-QOCHGBHMSA-N
MW386.56 g/mol
LogP5.61
Rot. Bonds11

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

(Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol (PubChem CID 135077156) has the molecular formula C23H30O3S and a molecular weight of 386.56 g/mol. Its IUPAC name is (Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol
PubChem CID135077156
Molecular FormulaC23H30O3S
Molecular Weight386.56 g/mol
Exact Mass386.19
IUPAC Name(Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol
SMILESCCCCCCCCC(O)/C(=C\S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O3S/c1-2-3-4-5-6-13-18-23(24)22(20-14-9-7-10-15-20)19-27(25,26)21-16-11-8-12-17-21/h7-12,14-17,19,23-24H,2-6,13,18H2,1H3/b22-19-
InChIKeyJICKFHOXXRYRRH-QOCHGBHMSA-N
XLogP5.61
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 ≤ 55.61
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

(E)-1-(benzenesulfonyl)-2-bromooct-1-en-3-ol
CID 102324017
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
(E,3R)-1-(benzenesulfonyl)hept-1-en-3-ol
CID 102026404
benzenesulfonic acid;nonane
CID 158294552
3-hydroxy-1-phenyloctan-1-one
CID 11127809
3-amino-1-phenyloctadecan-1-one
CID 54040118
N-[(E)-1-(benzenesulfonyl)prop-1-en-2-yl]butan-1-amine
CID 6383965
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
3-chloro-1-phenylnonan-1-one
CID 22934266
ethyl 2-acetyl-3-[(E)-2-(benzenesulfonyl)ethenyl]nonanoate
CID 10644349
[3-[(E)-2-(benzenesulfonyl)ethenoxy]-1-phenylhept-1-enyl]benzene
CID 101056840
benzoic acid;decan-5-ol
CID 71345643

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol?
The IUPAC name of (Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol (CID 135077156) is (Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol.
What is the SMILES notation for (Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol?
The canonical SMILES for (Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol is CCCCCCCCC(O)/C(=C\S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol?
The InChIKey is JICKFHOXXRYRRH-QOCHGBHMSA-N. The full InChI is InChI=1S/C23H30O3S/c1-2-3-4-5-6-13-18-23(24)22(20-14-9-7-10-15-20)19-27(25,26)21-16-11-8-12-17-21/h7-12,14-17,19,23-24H,2-6,13,18H2,1H3/b22-19-.
What are the key properties of (Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol?
(Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol has a molecular weight of 386.56 g/mol, XLogP of 5.61, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol is sourced from PubChem (CID 135077156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).