1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid

C23H24O4S — CID 71236406

IUPAC1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(C)S(=O)O)cc1
InChIInChI=1S/C23H24O4S/c1-17(28(24)25)23(18-7-5-4-6-8-18,19-9-13-21(26-2)14-10-19)20-11-15-22(27-3)16-12-20/h4-17H,1-3H3,(H,24,25)
InChIKeyXMTCICNTPXSQML-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.65
Rot. Bonds7

About 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid

1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid (PubChem CID 71236406) has the molecular formula C23H24O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid.

Molecular Properties

Compound Name1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid
PubChem CID71236406
Molecular FormulaC23H24O4S
Molecular Weight396.51 g/mol
Exact Mass396.14
IUPAC Name1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(C)S(=O)O)cc1
InChIInChI=1S/C23H24O4S/c1-17(28(24)25)23(18-7-5-4-6-8-18,19-9-13-21(26-2)14-10-19)20-11-15-22(27-3)16-12-20/h4-17H,1-3H3,(H,24,25)
InChIKeyXMTCICNTPXSQML-UHFFFAOYSA-N
XLogP4.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate
CID 71236405
methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene
CID 158331426
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene
CID 155021469
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
CID 11864321
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918
diphenylmethanol;4-methoxybenzenesulfinic acid
CID 70461534
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
N-[bis(4-methoxyphenyl)-phenylmethyl]methanimine
CID 163625272

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid?
The IUPAC name of 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid (CID 71236406) is 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid.
What is the SMILES notation for 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid?
The canonical SMILES for 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid is COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(C)S(=O)O)cc1.
What is the InChIKey of 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid?
The InChIKey is XMTCICNTPXSQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4S/c1-17(28(24)25)23(18-7-5-4-6-8-18,19-9-13-21(26-2)14-10-19)20-11-15-22(27-3)16-12-20/h4-17H,1-3H3,(H,24,25).
What are the key properties of 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid?
1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid has a molecular weight of 396.51 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid is sourced from PubChem (CID 71236406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).