ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate

C14H18O4 — CID 121268495

IUPACethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate
SMILESCCOC(=O)CC1(c2ccc(O)cc2)CC(O)C1
InChIInChI=1S/C14H18O4/c1-2-18-13(17)9-14(7-12(16)8-14)10-3-5-11(15)6-4-10/h3-6,12,15-16H,2,7-9H2,1H3
InChIKeyQMLLBUXIRSJTKR-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.74
Rot. Bonds4

About ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate

ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate (PubChem CID 121268495) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate
PubChem CID121268495
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate
SMILESCCOC(=O)CC1(c2ccc(O)cc2)CC(O)C1
InChIInChI=1S/C14H18O4/c1-2-18-13(17)9-14(7-12(16)8-14)10-3-5-11(15)6-4-10/h3-6,12,15-16H,2,7-9H2,1H3
InChIKeyQMLLBUXIRSJTKR-UHFFFAOYSA-N
XLogP1.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 139349540
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ethyl 2-[3-fluoro-1-(3-nitrophenyl)cyclobutyl]acetate
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ethyl 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
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CID 68734163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate?
The IUPAC name of ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate (CID 121268495) is ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate.
What is the SMILES notation for ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate?
The canonical SMILES for ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate is CCOC(=O)CC1(c2ccc(O)cc2)CC(O)C1.
What is the InChIKey of ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate?
The InChIKey is QMLLBUXIRSJTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-2-18-13(17)9-14(7-12(16)8-14)10-3-5-11(15)6-4-10/h3-6,12,15-16H,2,7-9H2,1H3.
What are the key properties of ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate?
ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate has a molecular weight of 250.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-1-(4-hydroxyphenyl)cyclobutyl]acetate is sourced from PubChem (CID 121268495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).