2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid

C18H20Cl2O4S — CID 173462269

IUPAC2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCC(CC=Cc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C17H16Cl2O.CH4O3S/c18-16-10-3-1-6-13(16)7-5-8-14(12-20)15-9-2-4-11-17(15)19;1-5(2,3)4/h1-7,9-11,14,20H,8,12H2;1H3,(H,2,3,4)
InChIKeyCVDURXPVIZWCIF-UHFFFAOYSA-N
MW403.33 g/mol
LogP4.68
Rot. Bonds5

About 2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid

2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid (PubChem CID 173462269) has the molecular formula C18H20Cl2O4S and a molecular weight of 403.33 g/mol. Its IUPAC name is 2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid.

Molecular Properties

Compound Name2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid
PubChem CID173462269
Molecular FormulaC18H20Cl2O4S
Molecular Weight403.33 g/mol
Exact Mass402.05
IUPAC Name2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCC(CC=Cc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C17H16Cl2O.CH4O3S/c18-16-10-3-1-6-13(16)7-5-8-14(12-20)15-9-2-4-11-17(15)19;1-5(2,3)4/h1-7,9-11,14,20H,8,12H2;1H3,(H,2,3,4)
InChIKeyCVDURXPVIZWCIF-UHFFFAOYSA-N
XLogP4.68
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol
CID 54506353
2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
CID 88843067
2-(2-chlorophenyl)decan-1-ol;methanesulfonic acid
CID 88842519
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 79449397
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
tert-butyl N-[2-(2-chlorophenyl)-3-hydroxypropyl]carbamate
CID 66635358
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
ethyl 6-(2-chlorophenyl)-3-ethyl-2,2-dimethylhex-5-enoate
CID 160888862
2-(2-chlorophenyl)-4-methylhexan-1-ol
CID 79449327
1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene
CID 59068903
2-(2,4-dichlorophenyl)pentan-1-ol;methanesulfonic acid
CID 88843036
2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid?
The IUPAC name of 2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid (CID 173462269) is 2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid.
What is the SMILES notation for 2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid?
The canonical SMILES for 2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid is CS(=O)(=O)O.OCC(CC=Cc1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid?
The InChIKey is CVDURXPVIZWCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O.CH4O3S/c18-16-10-3-1-6-13(16)7-5-8-14(12-20)15-9-2-4-11-17(15)19;1-5(2,3)4/h1-7,9-11,14,20H,8,12H2;1H3,(H,2,3,4).
What are the key properties of 2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid?
2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid has a molecular weight of 403.33 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid is sourced from PubChem (CID 173462269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).