1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene

C23H32O4S — CID 134220981

IUPAC1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene
SMILESCCC(C)Oc1ccc(Sc2ccc(OC(C)(C)CC)c(OC)c2)cc1OC
InChIInChI=1S/C23H32O4S/c1-8-16(3)26-19-12-10-17(14-21(19)24-6)28-18-11-13-20(22(15-18)25-7)27-23(4,5)9-2/h10-16H,8-9H2,1-7H3
InChIKeyFIEDAZZVFNCVIW-UHFFFAOYSA-N
MW404.57 g/mol
LogP6.60
Rot. Bonds10

About 1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene

1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene (PubChem CID 134220981) has the molecular formula C23H32O4S and a molecular weight of 404.57 g/mol. Its IUPAC name is 1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene
PubChem CID134220981
Molecular FormulaC23H32O4S
Molecular Weight404.57 g/mol
Exact Mass404.20
IUPAC Name1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene
SMILESCCC(C)Oc1ccc(Sc2ccc(OC(C)(C)CC)c(OC)c2)cc1OC
InChIInChI=1S/C23H32O4S/c1-8-16(3)26-19-12-10-17(14-21(19)24-6)28-18-11-13-20(22(15-18)25-7)27-23(4,5)9-2/h10-16H,8-9H2,1-7H3
InChIKeyFIEDAZZVFNCVIW-UHFFFAOYSA-N
XLogP6.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.57
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 71021796
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
CID 63364627
2-methoxy-1-(2-methylbutan-2-yloxy)-4-[(Z)-prop-1-enyl]benzene
CID 177482757
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene
CID 90705178
2-(3,4-dimethoxyphenyl)sulfanylpropan-2-ol
CID 117034552
3-[(2S)-butan-2-yl]oxy-4-methoxybenzaldehyde
CID 28744661
2-butan-2-yloxy-5-(2-methylbutan-2-yl)benzenesulfonic acid
CID 89053486
2-iodobutane;methyl 4-butan-2-yloxy-3-methoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate
CID 159584803
1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 54849914
2-(4-ethyl-2-methoxyphenoxy)-N,2-dimethylpropan-1-amine
CID 107668292
2-(3,4-dimethoxyphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035475

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene?
The IUPAC name of 1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene (CID 134220981) is 1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene.
What is the SMILES notation for 1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene?
The canonical SMILES for 1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene is CCC(C)Oc1ccc(Sc2ccc(OC(C)(C)CC)c(OC)c2)cc1OC.
What is the InChIKey of 1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene?
The InChIKey is FIEDAZZVFNCVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4S/c1-8-16(3)26-19-12-10-17(14-21(19)24-6)28-18-11-13-20(22(15-18)25-7)27-23(4,5)9-2/h10-16H,8-9H2,1-7H3.
What are the key properties of 1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene?
1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene has a molecular weight of 404.57 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene is sourced from PubChem (CID 134220981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).