(4-ethoxyphenyl)methyl methanesulfonate

C10H14O4S — CID 91756757

IUPAC(4-ethoxyphenyl)methyl methanesulfonate
SMILESCCOc1ccc(COS(C)(=O)=O)cc1
InChIInChI=1S/C10H14O4S/c1-3-13-10-6-4-9(5-7-10)8-14-15(2,11)12/h4-7H,3,8H2,1-2H3
InChIKeyIXICRSQLRVUPPV-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.56
Rot. Bonds5

About (4-ethoxyphenyl)methyl methanesulfonate

(4-ethoxyphenyl)methyl methanesulfonate (PubChem CID 91756757) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl methanesulfonate.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl methanesulfonate
PubChem CID91756757
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name(4-ethoxyphenyl)methyl methanesulfonate
SMILESCCOc1ccc(COS(C)(=O)=O)cc1
InChIInChI=1S/C10H14O4S/c1-3-13-10-6-4-9(5-7-10)8-14-15(2,11)12/h4-7H,3,8H2,1-2H3
InChIKeyIXICRSQLRVUPPV-UHFFFAOYSA-N
XLogP1.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)methyl methanesulfonate
CID 22896234
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
[4-(trifluoromethoxy)phenyl]methyl methanesulfonate
CID 21265728
[4-(methylsulfonylmethyl)phenyl]methyl methanesulfonate
CID 90133397
(4-iodophenyl)methyl methanesulfonate
CID 11109725
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
[4-(11-acetamidoundecoxy)phenyl]methyl methanesulfonate
CID 164873972
benzyl methanesulfonate;formaldehyde
CID 175233269
ethyl (3R)-3-[4-(methylsulfonyloxymethyl)phenyl]butanoate
CID 87773070
2-[4-(2-methylsulfonyloxyethoxy)phenoxy]ethyl methanesulfonate
CID 11121773
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
3-(4-butoxyphenyl)propyl methanesulfonate
CID 19688447

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl methanesulfonate?
The IUPAC name of (4-ethoxyphenyl)methyl methanesulfonate (CID 91756757) is (4-ethoxyphenyl)methyl methanesulfonate.
What is the SMILES notation for (4-ethoxyphenyl)methyl methanesulfonate?
The canonical SMILES for (4-ethoxyphenyl)methyl methanesulfonate is CCOc1ccc(COS(C)(=O)=O)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl methanesulfonate?
The InChIKey is IXICRSQLRVUPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-3-13-10-6-4-9(5-7-10)8-14-15(2,11)12/h4-7H,3,8H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)methyl methanesulfonate?
(4-ethoxyphenyl)methyl methanesulfonate has a molecular weight of 230.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl methanesulfonate is sourced from PubChem (CID 91756757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).