4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol

C12H16O3 — CID 54284619

IUPAC4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol
SMILESCCC1(Cc2ccc(O)cc2)OCCO1
InChIInChI=1S/C12H16O3/c1-2-12(14-7-8-15-12)9-10-3-5-11(13)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKeyRTFOOQWSBBKDIA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.09
Rot. Bonds3

About 4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol

4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol (PubChem CID 54284619) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol
PubChem CID54284619
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol
SMILESCCC1(Cc2ccc(O)cc2)OCCO1
InChIInChI=1S/C12H16O3/c1-2-12(14-7-8-15-12)9-10-3-5-11(13)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKeyRTFOOQWSBBKDIA-UHFFFAOYSA-N
XLogP2.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tyrosol
CID 10393
4-Nonylphenol
CID 1752
Salidroside
CID 159278
4-n-Octylphenol
CID 15730
4-Propylphenol
CID 12580
(alphaR)-4-Hydroxy-alpha-methylbenzenepropanol
CID 919205
4-Butylphenol
CID 15420
4-Pentylphenol
CID 26975
Benzenemethanol, 4-hydroxy-alpha-methyl-
CID 102803
4-n-Heptylphenol
CID 16143
Rhododendrol, (+-)-
CID 97790
3-(4-Hydroxyphenyl)propanol
CID 82452

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol?
The IUPAC name of 4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol (CID 54284619) is 4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol?
The canonical SMILES for 4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol is CCC1(Cc2ccc(O)cc2)OCCO1.
What is the InChIKey of 4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol?
The InChIKey is RTFOOQWSBBKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-12(14-7-8-15-12)9-10-3-5-11(13)6-4-10/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol?
4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol has a molecular weight of 208.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenol is sourced from PubChem (CID 54284619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).