1-(methoxymethyl)-4-phenylsulfanylbenzene

C14H14OS — CID 174608576

IUPAC1-(methoxymethyl)-4-phenylsulfanylbenzene
SMILESCOCc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLNEHYLHDHYKCNI-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.98
Rot. Bonds4

About 1-(methoxymethyl)-4-phenylsulfanylbenzene

1-(methoxymethyl)-4-phenylsulfanylbenzene (PubChem CID 174608576) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-phenylsulfanylbenzene.

Molecular Properties

Compound Name1-(methoxymethyl)-4-phenylsulfanylbenzene
PubChem CID174608576
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-(methoxymethyl)-4-phenylsulfanylbenzene
SMILESCOCc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLNEHYLHDHYKCNI-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylsulfanyl-4-(propoxymethyl)benzene
CID 23528182
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
methoxymethane;phenylsulfanylbenzene
CID 175087336
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
lithium;hydride;methoxymethylbenzene
CID 174456658
CID 66690055
CID 66690055
ethane;methoxymethylbenzene;propane
CID 144561349
1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene
CID 143570117
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene
CID 133428577
formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene
CID 138632205

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-phenylsulfanylbenzene?
The IUPAC name of 1-(methoxymethyl)-4-phenylsulfanylbenzene (CID 174608576) is 1-(methoxymethyl)-4-phenylsulfanylbenzene.
What is the SMILES notation for 1-(methoxymethyl)-4-phenylsulfanylbenzene?
The canonical SMILES for 1-(methoxymethyl)-4-phenylsulfanylbenzene is COCc1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 1-(methoxymethyl)-4-phenylsulfanylbenzene?
The InChIKey is LNEHYLHDHYKCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 1-(methoxymethyl)-4-phenylsulfanylbenzene?
1-(methoxymethyl)-4-phenylsulfanylbenzene has a molecular weight of 230.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-phenylsulfanylbenzene is sourced from PubChem (CID 174608576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).