2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene

C12H15BrOS — CID 139341709

IUPAC2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene
SMILESCSCc1ccc(OCC2CC2)c(Br)c1
InChIInChI=1S/C12H15BrOS/c1-15-8-10-4-5-12(11(13)6-10)14-7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeyAJTAQSYZMHIGLY-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.10
Rot. Bonds5

About 2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene

2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene (PubChem CID 139341709) has the molecular formula C12H15BrOS and a molecular weight of 287.22 g/mol. Its IUPAC name is 2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene
PubChem CID139341709
Molecular FormulaC12H15BrOS
Molecular Weight287.22 g/mol
Exact Mass286.00
IUPAC Name2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene
SMILESCSCc1ccc(OCC2CC2)c(Br)c1
InChIInChI=1S/C12H15BrOS/c1-15-8-10-4-5-12(11(13)6-10)14-7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeyAJTAQSYZMHIGLY-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460986
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461132
S-[3-bromo-4-(cyclopropylmethoxy)phenoxy]thiohydroxylamine;ethane
CID 144832890
S-[3-bromo-4-(cyclopropylmethoxy)phenoxy]thiohydroxylamine
CID 134311171
[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929795
2-bromo-1-(cyclopropylmethoxy)-4-ethynylbenzene
CID 138985603
4-bromo-5-(cyclopropylmethoxy)-2-methylaniline
CID 121221486
1-[3-bromo-4-(cyclopentylmethoxy)phenyl]ethanone
CID 66322201
2,4-bis[3-bromo-4-(cyclopropylmethoxy)phenyl]pentan-3-one
CID 150261941

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene?
The IUPAC name of 2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene (CID 139341709) is 2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene.
What is the SMILES notation for 2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene?
The canonical SMILES for 2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene is CSCc1ccc(OCC2CC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene?
The InChIKey is AJTAQSYZMHIGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrOS/c1-15-8-10-4-5-12(11(13)6-10)14-7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene?
2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene has a molecular weight of 287.22 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene is sourced from PubChem (CID 139341709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).