Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate

Name: Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₀O₃ — CID 142526891

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate

SMILESCCOC(=O)C1CC(c2ccc(CCO)cc2)C1

InChIInChI=1S/C15H20O3/c1-2-18-15(17)14-9-13(10-14)12-5-3-11(4-6-12)7-8-16/h3-6,13-14,16H,2,7-10H2,1H3

InChIKeyNOPXCTVAGHERJN-UHFFFAOYSA-N

MW248.32 g/mol

LogP2.28

Rot. Bonds5

About Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate

Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate (PubChem CID 142526891) has the molecular formula C₁₅H₂₀O₃ and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Name	Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate
PubChem CID	142526891
Molecular Formula	C₁₅H₂₀O₃
Molecular Weight	248.32 g/mol
Exact Mass	248.14
IUPAC Name	ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate
SMILES	CCOC(=O)C1CC(c2ccc(CCO)cc2)C1
InChI	InChI=1S/C15H20O3/c1-2-18-15(17)14-9-13(10-14)12-5-3-11(4-6-12)7-8-16/h3-6,13-14,16H,2,7-10H2,1H3
InChIKey	NOPXCTVAGHERJN-UHFFFAOYSA-N
XLogP	2.28
TPSA	46.53 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.32
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate?

The IUPAC name of Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate (CID 142526891) is ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate.

What is the SMILES notation for Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate?

The canonical SMILES for Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate is CCOC(=O)C1CC(c2ccc(CCO)cc2)C1.

What is the InChIKey of Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate?

The InChIKey is NOPXCTVAGHERJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-18-15(17)14-9-13(10-14)12-5-3-11(4-6-12)7-8-16/h3-6,13-14,16H,2,7-10H2,1H3.

What are the key properties of Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate?

Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 142526891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142526891 — identifiers, structure, computed properties (public domain)

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