3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol

C24H26O3S — CID 70193327

IUPAC3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol
SMILESCOc1ccccc1C(SCCCO)(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C24H26O3S/c1-26-22-15-8-6-13-20(22)24(28-18-10-17-25,19-11-4-3-5-12-19)21-14-7-9-16-23(21)27-2/h3-9,11-16,25H,10,17-18H2,1-2H3
InChIKeyWEOFTMRRJIYXLN-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.11
Rot. Bonds9

About 3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol

3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol (PubChem CID 70193327) has the molecular formula C24H26O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol
PubChem CID70193327
Molecular FormulaC24H26O3S
Molecular Weight394.54 g/mol
Exact Mass394.16
IUPAC Name3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol
SMILESCOc1ccccc1C(SCCCO)(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C24H26O3S/c1-26-22-15-8-6-13-20(22)24(28-18-10-17-25,19-11-4-3-5-12-19)21-14-7-9-16-23(21)27-2/h3-9,11-16,25H,10,17-18H2,1-2H3
InChIKeyWEOFTMRRJIYXLN-UHFFFAOYSA-N
XLogP5.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 67126813
3-[(2-methoxyphenyl)-diphenylmethoxy]propan-1-ol
CID 67427364
2-[2-(3-tritylsulfanylpropoxy)ethoxy]ethanol
CID 46939497
3-[2-[hydroxy(diphenyl)methyl]phenoxy]propan-1-ol
CID 10544702
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
2-[2-[2-[bis(2-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 126752153
2-(3-hydroxypropylsulfanyl)-1-(2-methoxyphenyl)ethanone
CID 66125952
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol?
The IUPAC name of 3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol (CID 70193327) is 3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol is COc1ccccc1C(SCCCO)(c1ccccc1)c1ccccc1OC.
What is the InChIKey of 3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol?
The InChIKey is WEOFTMRRJIYXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3S/c1-26-22-15-8-6-13-20(22)24(28-18-10-17-25,19-11-4-3-5-12-19)21-14-7-9-16-23(21)27-2/h3-9,11-16,25H,10,17-18H2,1-2H3.
What are the key properties of 3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol?
3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol has a molecular weight of 394.54 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyphenyl)-phenylmethyl]sulfanylpropan-1-ol is sourced from PubChem (CID 70193327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).