3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol

C14H20O3 — CID 15447749

IUPAC3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol
SMILESCCC(O)(CC)c1ccccc1C1OCCO1
InChIInChI=1S/C14H20O3/c1-3-14(15,4-2)12-8-6-5-7-11(12)13-16-9-10-17-13/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyKKUCMDZWPGYAPP-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.74
Rot. Bonds4

About 3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol

3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol (PubChem CID 15447749) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol.

Molecular Properties

Compound Name3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol
PubChem CID15447749
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol
SMILESCCC(O)(CC)c1ccccc1C1OCCO1
InChIInChI=1S/C14H20O3/c1-3-14(15,4-2)12-8-6-5-7-11(12)13-16-9-10-17-13/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyKKUCMDZWPGYAPP-UHFFFAOYSA-N
XLogP2.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol?
The IUPAC name of 3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol (CID 15447749) is 3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol.
What is the SMILES notation for 3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol?
The canonical SMILES for 3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol is CCC(O)(CC)c1ccccc1C1OCCO1.
What is the InChIKey of 3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol?
The InChIKey is KKUCMDZWPGYAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-14(15,4-2)12-8-6-5-7-11(12)13-16-9-10-17-13/h5-8,13,15H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol?
3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol has a molecular weight of 236.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol is sourced from PubChem (CID 15447749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).