3-(2-methyl-1,3-dioxolan-2-yl)phenol

C10H12O3 — CID 19710951

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)phenol
SMILESCC1(c2cccc(O)c2)OCCO1
InChIInChI=1S/C10H12O3/c1-10(12-5-6-13-10)8-3-2-4-9(11)7-8/h2-4,7,11H,5-6H2,1H3
InChIKeyBKBDDUCWMKYPPO-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.61
Rot. Bonds1

About 3-(2-methyl-1,3-dioxolan-2-yl)phenol

3-(2-methyl-1,3-dioxolan-2-yl)phenol (PubChem CID 19710951) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)phenol.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)phenol
PubChem CID19710951
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)phenol
SMILESCC1(c2cccc(O)c2)OCCO1
InChIInChI=1S/C10H12O3/c1-10(12-5-6-13-10)8-3-2-4-9(11)7-8/h2-4,7,11H,5-6H2,1H3
InChIKeyBKBDDUCWMKYPPO-UHFFFAOYSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)phenol?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)phenol (CID 19710951) is 3-(2-methyl-1,3-dioxolan-2-yl)phenol.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)phenol?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)phenol is CC1(c2cccc(O)c2)OCCO1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)phenol?
The InChIKey is BKBDDUCWMKYPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-10(12-5-6-13-10)8-3-2-4-9(11)7-8/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)phenol?
3-(2-methyl-1,3-dioxolan-2-yl)phenol has a molecular weight of 180.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)phenol is sourced from PubChem (CID 19710951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).