2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene

C30H30O2S — CID 156695520

IUPAC2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene
SMILESCOc1cc(C(SC(c2ccccc2)c2ccc(C)c(OC)c2)c2ccccc2)ccc1C
InChIInChI=1S/C30H30O2S/c1-21-15-17-25(19-27(21)31-3)29(23-11-7-5-8-12-23)33-30(24-13-9-6-10-14-24)26-18-16-22(2)28(20-26)32-4/h5-20,29-30H,1-4H3
InChIKeyDOTCRELICHSOGJ-UHFFFAOYSA-N
MW454.64 g/mol
LogP7.93
Rot. Bonds8

About 2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene

2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene (PubChem CID 156695520) has the molecular formula C30H30O2S and a molecular weight of 454.64 g/mol. Its IUPAC name is 2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene.

Molecular Properties

Compound Name2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene
PubChem CID156695520
Molecular FormulaC30H30O2S
Molecular Weight454.64 g/mol
Exact Mass454.20
IUPAC Name2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene
SMILESCOc1cc(C(SC(c2ccccc2)c2ccc(C)c(OC)c2)c2ccccc2)ccc1C
InChIInChI=1S/C30H30O2S/c1-21-15-17-25(19-27(21)31-3)29(23-11-7-5-8-12-23)33-30(24-13-9-6-10-14-24)26-18-16-22(2)28(20-26)32-4/h5-20,29-30H,1-4H3
InChIKeyDOTCRELICHSOGJ-UHFFFAOYSA-N
XLogP7.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-methyl-4-(1-phenylethyl)benzene
CID 57234669
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene
CID 143595124
2-(3-methoxy-4-methylphenyl)butan-1-ol
CID 139504441
1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene
CID 141458564
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene?
The IUPAC name of 2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene (CID 156695520) is 2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene.
What is the SMILES notation for 2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene?
The canonical SMILES for 2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene is COc1cc(C(SC(c2ccccc2)c2ccc(C)c(OC)c2)c2ccccc2)ccc1C.
What is the InChIKey of 2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene?
The InChIKey is DOTCRELICHSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2S/c1-21-15-17-25(19-27(21)31-3)29(23-11-7-5-8-12-23)33-30(24-13-9-6-10-14-24)26-18-16-22(2)28(20-26)32-4/h5-20,29-30H,1-4H3.
What are the key properties of 2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene?
2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene has a molecular weight of 454.64 g/mol, XLogP of 7.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene is sourced from PubChem (CID 156695520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).