(Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol

C15H21FO3S — CID 138375718

IUPAC(Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol
SMILESCc1ccc(S(=O)(=O)CCCCC/C(F)=C/CO)cc1
InChIInChI=1S/C15H21FO3S/c1-13-6-8-15(9-7-13)20(18,19)12-4-2-3-5-14(16)10-11-17/h6-10,17H,2-5,11-12H2,1H3/b14-10-
InChIKeyHYOJXAVRYCBVMA-UVTDQMKNSA-N
MW300.39 g/mol
LogP3.17
Rot. Bonds8

About (Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol

(Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol (PubChem CID 138375718) has the molecular formula C15H21FO3S and a molecular weight of 300.39 g/mol. Its IUPAC name is (Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol
PubChem CID138375718
Molecular FormulaC15H21FO3S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name(Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol
SMILESCc1ccc(S(=O)(=O)CCCCC/C(F)=C/CO)cc1
InChIInChI=1S/C15H21FO3S/c1-13-6-8-15(9-7-13)20(18,19)12-4-2-3-5-14(16)10-11-17/h6-10,17H,2-5,11-12H2,1H3/b14-10-
InChIKeyHYOJXAVRYCBVMA-UVTDQMKNSA-N
XLogP3.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.17
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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CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
Methanol, 1-[(4-methylphenyl)sulfonyl]-
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Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
2-Methyl-2-propenyl p-tolyl sulphone
CID 140043
1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene
CID 5006204
3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
CID 115623
(4-Methanesulfonylphenyl)methanol
CID 3801026
4-[(4-Methylphenyl)sulfonyl]tetrahydro-3-thiopheneol 1,1-dioxide
CID 2829781
N-[bis(2-hydroxyethyl)-lambda~4~-sulfanylidene]-4-methylbenzenesulfonamide
CID 257521
(E)-1-(p-Tolylsulfonyl)-1-propen-3-ol
CID 1735958

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol?
The IUPAC name of (Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol (CID 138375718) is (Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol.
What is the SMILES notation for (Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol?
The canonical SMILES for (Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol is Cc1ccc(S(=O)(=O)CCCCC/C(F)=C/CO)cc1.
What is the InChIKey of (Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol?
The InChIKey is HYOJXAVRYCBVMA-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H21FO3S/c1-13-6-8-15(9-7-13)20(18,19)12-4-2-3-5-14(16)10-11-17/h6-10,17H,2-5,11-12H2,1H3/b14-10-.
What are the key properties of (Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol?
(Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol has a molecular weight of 300.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-8-(4-methylphenyl)sulfonyloct-2-en-1-ol is sourced from PubChem (CID 138375718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).