2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene

C13H13ClO2S — CID 29272309

IUPAC2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
SMILESCOc1cc(CCl)ccc1OCc1cccs1
InChIInChI=1S/C13H13ClO2S/c1-15-13-7-10(8-14)4-5-12(13)16-9-11-3-2-6-17-11/h2-7H,8-9H2,1H3
InChIKeyLOIYOMCAADYFRQ-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.07
Rot. Bonds5

About 2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene

2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene (PubChem CID 29272309) has the molecular formula C13H13ClO2S and a molecular weight of 268.76 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
PubChem CID29272309
Molecular FormulaC13H13ClO2S
Molecular Weight268.76 g/mol
Exact Mass268.03
IUPAC Name2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
SMILESCOc1cc(CCl)ccc1OCc1cccs1
InChIInChI=1S/C13H13ClO2S/c1-15-13-7-10(8-14)4-5-12(13)16-9-11-3-2-6-17-11/h2-7H,8-9H2,1H3
InChIKeyLOIYOMCAADYFRQ-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
tert-butyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 6965110
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
CID 59921100
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 6463534
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride
CID 19644504
2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290099
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290314
N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene?
The IUPAC name of 2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene (CID 29272309) is 2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene.
What is the SMILES notation for 2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene?
The canonical SMILES for 2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene is COc1cc(CCl)ccc1OCc1cccs1.
What is the InChIKey of 2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene?
The InChIKey is LOIYOMCAADYFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2S/c1-15-13-7-10(8-14)4-5-12(13)16-9-11-3-2-6-17-11/h2-7H,8-9H2,1H3.
What are the key properties of 2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene?
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene has a molecular weight of 268.76 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene is sourced from PubChem (CID 29272309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).