1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol

C12H18O3 — CID 117300552

IUPAC1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1cc(OC)ccc1CC(C)O
InChIInChI=1S/C12H18O3/c1-9(13)6-10-4-5-12(15-3)7-11(10)8-14-2/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyNRQGGXSHDODICR-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.76
Rot. Bonds5

About 1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol

1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 117300552) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol
PubChem CID117300552
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1cc(OC)ccc1CC(C)O
InChIInChI=1S/C12H18O3/c1-9(13)6-10-4-5-12(15-3)7-11(10)8-14-2/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyNRQGGXSHDODICR-UHFFFAOYSA-N
XLogP1.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
CID 68649923
1-[5-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117286314
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine
CID 117301686
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-ol
CID 117300594
1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117287870
ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
CID 117388855
2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
CID 117308664
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol (CID 117300552) is 1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol is COCc1cc(OC)ccc1CC(C)O.
What is the InChIKey of 1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is NRQGGXSHDODICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(13)6-10-4-5-12(15-3)7-11(10)8-14-2/h4-5,7,9,13H,6,8H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol?
1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117300552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).