diphenylmethanol;4-methoxybenzenesulfinic acid

C20H20O4S — CID 70461534

IUPACdiphenylmethanol;4-methoxybenzenesulfinic acid
SMILESCOc1ccc(S(=O)O)cc1.OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12O.C7H8O3S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-10-6-2-4-7(5-3-6)11(8)9/h1-10,13-14H;2-5H,1H3,(H,8,9)
InChIKeyMGYCVMPITCKCCR-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.04
Rot. Bonds4

About diphenylmethanol;4-methoxybenzenesulfinic acid

diphenylmethanol;4-methoxybenzenesulfinic acid (PubChem CID 70461534) has the molecular formula C20H20O4S and a molecular weight of 356.44 g/mol. Its IUPAC name is diphenylmethanol;4-methoxybenzenesulfinic acid.

Molecular Properties

Compound Namediphenylmethanol;4-methoxybenzenesulfinic acid
PubChem CID70461534
Molecular FormulaC20H20O4S
Molecular Weight356.44 g/mol
Exact Mass356.11
IUPAC Namediphenylmethanol;4-methoxybenzenesulfinic acid
SMILESCOc1ccc(S(=O)O)cc1.OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12O.C7H8O3S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-10-6-2-4-7(5-3-6)11(8)9/h1-10,13-14H;2-5H,1H3,(H,8,9)
InChIKeyMGYCVMPITCKCCR-UHFFFAOYSA-N
XLogP4.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
CID 11638185
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
phenyl 4-methoxybenzenesulfinate
CID 20694097
1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid
CID 71236406
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine
CID 64657384
(4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol
CID 91927376
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
(S)-(3-fluorophenyl)-(4-methoxyphenyl)methanol
CID 7154378

Frequently Asked Questions

What is the IUPAC name of diphenylmethanol;4-methoxybenzenesulfinic acid?
The IUPAC name of diphenylmethanol;4-methoxybenzenesulfinic acid (CID 70461534) is diphenylmethanol;4-methoxybenzenesulfinic acid.
What is the SMILES notation for diphenylmethanol;4-methoxybenzenesulfinic acid?
The canonical SMILES for diphenylmethanol;4-methoxybenzenesulfinic acid is COc1ccc(S(=O)O)cc1.OC(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanol;4-methoxybenzenesulfinic acid?
The InChIKey is MGYCVMPITCKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C7H8O3S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-10-6-2-4-7(5-3-6)11(8)9/h1-10,13-14H;2-5H,1H3,(H,8,9).
What are the key properties of diphenylmethanol;4-methoxybenzenesulfinic acid?
diphenylmethanol;4-methoxybenzenesulfinic acid has a molecular weight of 356.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanol;4-methoxybenzenesulfinic acid is sourced from PubChem (CID 70461534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).