CID 175393014

C19H25FNO6S- — CID 175393014

IUPAC—
SMILESCOc1ccc(CC(F)Cc2ccc(OC)cc2OC)c(OC)c1.NS(=O)[O-]
InChIInChI=1S/C19H23FO4.H3NO2S/c1-21-16-7-5-13(18(11-16)23-3)9-15(20)10-14-6-8-17(22-2)12-19(14)24-4;1-4(2)3/h5-8,11-12,15H,9-10H2,1-4H3;1H2,(H,2,3)/p-1
InChIKeyIJQCWUHRIKBIPU-UHFFFAOYSA-M
MW414.48 g/mol
LogP2.58
Rot. Bonds8

About CID 175393014

CID 175393014 (PubChem CID 175393014) has the molecular formula C19H25FNO6S- and a molecular weight of 414.48 g/mol.

Molecular Properties

Compound NameCID 175393014
PubChem CID175393014
Molecular FormulaC19H25FNO6S-
Molecular Weight414.48 g/mol
Exact Mass414.14
IUPAC Name—
SMILESCOc1ccc(CC(F)Cc2ccc(OC)cc2OC)c(OC)c1.NS(=O)[O-]
InChIInChI=1S/C19H23FO4.H3NO2S/c1-21-16-7-5-13(18(11-16)23-3)9-15(20)10-14-6-8-17(22-2)12-19(14)24-4;1-4(2)3/h5-8,11-12,15H,9-10H2,1-4H3;1H2,(H,2,3)/p-1
InChIKeyIJQCWUHRIKBIPU-UHFFFAOYSA-M
XLogP2.58
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 175392994
CID 175392994
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
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1-(iodomethyl)-2,4-dimethoxybenzene
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2-(2,4-dimethoxyphenyl)ethanesulfinic acid
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3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine
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(4S)-4-amino-5-(2,4-dimethoxyphenyl)pentanoic acid
CID 27282138
CID 175226407
CID 175226407
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
(2,4-dimethoxyphenyl)methylurea
CID 53362457
(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100545736
3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977036
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104

Frequently Asked Questions

What is the IUPAC name of CID 175393014?
The IUPAC name of CID 175393014 (CID 175393014) is not available.
What is the SMILES notation for CID 175393014?
The canonical SMILES for CID 175393014 is COc1ccc(CC(F)Cc2ccc(OC)cc2OC)c(OC)c1.NS(=O)[O-].
What is the InChIKey of CID 175393014?
The InChIKey is IJQCWUHRIKBIPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23FO4.H3NO2S/c1-21-16-7-5-13(18(11-16)23-3)9-15(20)10-14-6-8-17(22-2)12-19(14)24-4;1-4(2)3/h5-8,11-12,15H,9-10H2,1-4H3;1H2,(H,2,3)/p-1.
What are the key properties of CID 175393014?
CID 175393014 has a molecular weight of 414.48 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175393014 is sourced from PubChem (CID 175393014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).