2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol

C14H20O3 — CID 169444375

IUPAC2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol
SMILESCC(C)C(O)c1ccc(C2(C)OCCO2)cc1
InChIInChI=1S/C14H20O3/c1-10(2)13(15)11-4-6-12(7-5-11)14(3)16-8-9-17-14/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyHRTXLJBYGKNLJZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.60
Rot. Bonds3

About 2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol

2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol (PubChem CID 169444375) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol
PubChem CID169444375
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol
SMILESCC(C)C(O)c1ccc(C2(C)OCCO2)cc1
InChIInChI=1S/C14H20O3/c1-10(2)13(15)11-4-6-12(7-5-11)14(3)16-8-9-17-14/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyHRTXLJBYGKNLJZ-UHFFFAOYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol (CID 169444375) is 2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol is CC(C)C(O)c1ccc(C2(C)OCCO2)cc1.
What is the InChIKey of 2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol?
The InChIKey is HRTXLJBYGKNLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)13(15)11-4-6-12(7-5-11)14(3)16-8-9-17-14/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol?
2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 169444375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).