3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol

C12H16O4 — CID 53492766

IUPAC3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol
SMILESCOc1cc(O)cc(CC2(C)OCCO2)c1
InChIInChI=1S/C12H16O4/c1-12(15-3-4-16-12)8-9-5-10(13)7-11(6-9)14-2/h5-7,13H,3-4,8H2,1-2H3
InChIKeyYACASAPOUJTOQU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.71
Rot. Bonds3

About 3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol

3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol (PubChem CID 53492766) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol
PubChem CID53492766
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol
SMILESCOc1cc(O)cc(CC2(C)OCCO2)c1
InChIInChI=1S/C12H16O4/c1-12(15-3-4-16-12)8-9-5-10(13)7-11(6-9)14-2/h5-7,13H,3-4,8H2,1-2H3
InChIKeyYACASAPOUJTOQU-UHFFFAOYSA-N
XLogP1.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium
CID 175386963
3-butyl-5-methoxyphenol
CID 12836529
(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869077
(2R)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869075
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
3,5-dimethoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359281
1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117297692
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958950
8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143587326
1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 11715768

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol?
The IUPAC name of 3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol (CID 53492766) is 3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol.
What is the SMILES notation for 3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol?
The canonical SMILES for 3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol is COc1cc(O)cc(CC2(C)OCCO2)c1.
What is the InChIKey of 3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol?
The InChIKey is YACASAPOUJTOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-12(15-3-4-16-12)8-9-5-10(13)7-11(6-9)14-2/h5-7,13H,3-4,8H2,1-2H3.
What are the key properties of 3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol?
3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol has a molecular weight of 224.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol is sourced from PubChem (CID 53492766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).