4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol

C15H22O4 — CID 71138842

IUPAC4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol
SMILESCCCC[C@H]1CO[C@H](c2ccc(O)c(OCC)c2)O1
InChIInChI=1S/C15H22O4/c1-3-5-6-12-10-18-15(19-12)11-7-8-13(16)14(9-11)17-4-2/h7-9,12,15-16H,3-6,10H2,1-2H3/t12-,15-/m0/s1
InChIKeyKFNNWMFPDLPWHQ-WFASDCNBSA-N
MW266.34 g/mol
LogP3.40
Rot. Bonds6

About 4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol

4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol (PubChem CID 71138842) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol
PubChem CID71138842
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol
SMILESCCCC[C@H]1CO[C@H](c2ccc(O)c(OCC)c2)O1
InChIInChI=1S/C15H22O4/c1-3-5-6-12-10-18-15(19-12)11-7-8-13(16)14(9-11)17-4-2/h7-9,12,15-16H,3-6,10H2,1-2H3/t12-,15-/m0/s1
InChIKeyKFNNWMFPDLPWHQ-WFASDCNBSA-N
XLogP3.40
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol?
The IUPAC name of 4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol (CID 71138842) is 4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol?
The canonical SMILES for 4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol is CCCC[C@H]1CO[C@H](c2ccc(O)c(OCC)c2)O1.
What is the InChIKey of 4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol?
The InChIKey is KFNNWMFPDLPWHQ-WFASDCNBSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-5-6-12-10-18-15(19-12)11-7-8-13(16)14(9-11)17-4-2/h7-9,12,15-16H,3-6,10H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of 4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol?
4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol has a molecular weight of 266.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol is sourced from PubChem (CID 71138842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).