(4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate

C14H20O5S — CID 126828201

IUPAC(4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate
SMILESCCOC1(CS(=O)(=O)Oc2ccc(OC)cc2)CCC1
InChIInChI=1S/C14H20O5S/c1-3-18-14(9-4-10-14)11-20(15,16)19-13-7-5-12(17-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyPQFKWGFGRSEXLP-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.36
Rot. Bonds7

About (4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate

(4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate (PubChem CID 126828201) has the molecular formula C14H20O5S and a molecular weight of 300.38 g/mol. Its IUPAC name is (4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate.

Molecular Properties

Compound Name(4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate
PubChem CID126828201
Molecular FormulaC14H20O5S
Molecular Weight300.38 g/mol
Exact Mass300.10
IUPAC Name(4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate
SMILESCCOC1(CS(=O)(=O)Oc2ccc(OC)cc2)CCC1
InChIInChI=1S/C14H20O5S/c1-3-18-14(9-4-10-14)11-20(15,16)19-13-7-5-12(17-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyPQFKWGFGRSEXLP-UHFFFAOYSA-N
XLogP2.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) hydroxymethanesulfonate
CID 140999217
ethyl formate;1-(4-methoxyphenyl)cyclobutan-1-ol
CID 174816439
2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
CID 103272392
(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate
CID 71390856
(4-methoxyphenyl) 2,3-dichloropropane-1-sulfonate
CID 13193334
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one
CID 116747836
[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002637
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine
CID 68868814
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate?
The IUPAC name of (4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate (CID 126828201) is (4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate.
What is the SMILES notation for (4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate?
The canonical SMILES for (4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate is CCOC1(CS(=O)(=O)Oc2ccc(OC)cc2)CCC1.
What is the InChIKey of (4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate?
The InChIKey is PQFKWGFGRSEXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5S/c1-3-18-14(9-4-10-14)11-20(15,16)19-13-7-5-12(17-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of (4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate?
(4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate has a molecular weight of 300.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate is sourced from PubChem (CID 126828201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).