1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene

C16H18OS — CID 15456663

IUPAC1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccccc2C(C)C)cc1
InChIInChI=1S/C16H18OS/c1-12(2)15-6-4-5-7-16(15)18-14-10-8-13(17-3)9-11-14/h4-12H,1-3H3
InChIKeyZAROKCLDYWNHKG-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.97
Rot. Bonds4

About 1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene

1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene (PubChem CID 15456663) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene
PubChem CID15456663
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccccc2C(C)C)cc1
InChIInChI=1S/C16H18OS/c1-12(2)15-6-4-5-7-16(15)18-14-10-8-13(17-3)9-11-14/h4-12H,1-3H3
InChIKeyZAROKCLDYWNHKG-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene?
The IUPAC name of 1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene (CID 15456663) is 1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene?
The canonical SMILES for 1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene is COc1ccc(Sc2ccccc2C(C)C)cc1.
What is the InChIKey of 1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene?
The InChIKey is ZAROKCLDYWNHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-12(2)15-6-4-5-7-16(15)18-14-10-8-13(17-3)9-11-14/h4-12H,1-3H3.
What are the key properties of 1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene?
1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene has a molecular weight of 258.39 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene is sourced from PubChem (CID 15456663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).