ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate

C15H20O4 — CID 118050829

IUPACethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(OCc2ccc(OC)cc2)C1
InChIInChI=1S/C15H20O4/c1-3-18-15(16)12-8-14(9-12)19-10-11-4-6-13(17-2)7-5-11/h4-7,12,14H,3,8-10H2,1-2H3
InChIKeyJAAHOJFBFIJKFM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.55
Rot. Bonds6

About ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate

ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate (PubChem CID 118050829) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
PubChem CID118050829
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(OCc2ccc(OC)cc2)C1
InChIInChI=1S/C15H20O4/c1-3-18-15(16)12-8-14(9-12)19-10-11-4-6-13(17-2)7-5-11/h4-7,12,14H,3,8-10H2,1-2H3
InChIKeyJAAHOJFBFIJKFM-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid
CID 125472318
ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate
CID 122476650
(4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate
CID 88671607
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685
ethyl 6-[2-[[4-(4-methoxyphenyl)phenyl]methoxy]piperidin-1-yl]hexanoate
CID 54367483
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
(1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol
CID 88689363
ethyl 3-(4-octylphenoxy)cyclopentane-1-carboxylate
CID 150842881
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
(1R,3R,5S)-2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)cyclohexan-1-ol
CID 146033980
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate (CID 118050829) is ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate is CCOC(=O)C1CC(OCc2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate?
The InChIKey is JAAHOJFBFIJKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-18-15(16)12-8-14(9-12)19-10-11-4-6-13(17-2)7-5-11/h4-7,12,14H,3,8-10H2,1-2H3.
What are the key properties of ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate?
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate is sourced from PubChem (CID 118050829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).