1-(methylsulfanylmethoxy)-3-phenylbenzene

C14H14OS — CID 56983250

IUPAC1-(methylsulfanylmethoxy)-3-phenylbenzene
SMILESCSCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H14OS/c1-16-11-15-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKeyQAHLPZPZCKJJMN-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.05
Rot. Bonds4

About 1-(methylsulfanylmethoxy)-3-phenylbenzene

1-(methylsulfanylmethoxy)-3-phenylbenzene (PubChem CID 56983250) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(methylsulfanylmethoxy)-3-phenylbenzene.

Molecular Properties

Compound Name1-(methylsulfanylmethoxy)-3-phenylbenzene
PubChem CID56983250
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-(methylsulfanylmethoxy)-3-phenylbenzene
SMILESCSCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H14OS/c1-16-11-15-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKeyQAHLPZPZCKJJMN-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
1-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanylmethoxy)-3-phenylbenzene
CID 100984267
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 67578950
ethylsulfanylmethoxybenzene
CID 54359537
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene
CID 166899428
bis(1,3-diphenylbenzene);ethane
CID 144938975
3,5-bis[3-(3-phenylphenoxy)propoxy]benzoic acid
CID 18951535
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethoxy)-3-phenylbenzene?
The IUPAC name of 1-(methylsulfanylmethoxy)-3-phenylbenzene (CID 56983250) is 1-(methylsulfanylmethoxy)-3-phenylbenzene.
What is the SMILES notation for 1-(methylsulfanylmethoxy)-3-phenylbenzene?
The canonical SMILES for 1-(methylsulfanylmethoxy)-3-phenylbenzene is CSCOc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(methylsulfanylmethoxy)-3-phenylbenzene?
The InChIKey is QAHLPZPZCKJJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-16-11-15-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-10H,11H2,1H3.
What are the key properties of 1-(methylsulfanylmethoxy)-3-phenylbenzene?
1-(methylsulfanylmethoxy)-3-phenylbenzene has a molecular weight of 230.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethoxy)-3-phenylbenzene is sourced from PubChem (CID 56983250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).