1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene

C11H16OS — CID 123567151

IUPAC1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene
SMILESCOc1ccc(C(C)(C)SC)cc1
InChIInChI=1S/C11H16OS/c1-11(2,13-4)9-5-7-10(12-3)8-6-9/h5-8H,1-4H3
InChIKeyPYZFWDTYIDQTPQ-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.29
Rot. Bonds3

About 1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene

1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene (PubChem CID 123567151) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene
PubChem CID123567151
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene
SMILESCOc1ccc(C(C)(C)SC)cc1
InChIInChI=1S/C11H16OS/c1-11(2,13-4)9-5-7-10(12-3)8-6-9/h5-8H,1-4H3
InChIKeyPYZFWDTYIDQTPQ-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 102373172
CID 102373172
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene
CID 91261383
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
CID 59043103
S-methyl 2-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethanethioate
CID 10637130
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
CID 118398991
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
[2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
CID 87392310

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene?
The IUPAC name of 1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene (CID 123567151) is 1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene?
The canonical SMILES for 1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene is COc1ccc(C(C)(C)SC)cc1.
What is the InChIKey of 1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene?
The InChIKey is PYZFWDTYIDQTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-11(2,13-4)9-5-7-10(12-3)8-6-9/h5-8H,1-4H3.
What are the key properties of 1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene?
1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene has a molecular weight of 196.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene is sourced from PubChem (CID 123567151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).