(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol

C15H22O5 — CID 79763064

IUPAC(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)C2CCOC2C)c(OC)c1
InChIInChI=1S/C15H22O5/c1-9-11(5-6-20-9)15(16)14-12(18-3)7-10(17-2)8-13(14)19-4/h7-9,11,15-16H,5-6H2,1-4H3
InChIKeyALKKUKDKXHQWTD-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.17
Rot. Bonds5

About (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol

(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol (PubChem CID 79763064) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol
PubChem CID79763064
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)C2CCOC2C)c(OC)c1
InChIInChI=1S/C15H22O5/c1-9-11(5-6-20-9)15(16)14-12(18-3)7-10(17-2)8-13(14)19-4/h7-9,11,15-16H,5-6H2,1-4H3
InChIKeyALKKUKDKXHQWTD-UHFFFAOYSA-N
XLogP2.17
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine
CID 79759527
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763153
(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762979
(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol
CID 115828844
(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763340
(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 79763149
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763146
3-[chloro-(2,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79762632
N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105013645
(2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol
CID 79755914
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
(2-ethoxy-5-methylphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762889

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol?
The IUPAC name of (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol (CID 79763064) is (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol.
What is the SMILES notation for (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol?
The canonical SMILES for (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)C2CCOC2C)c(OC)c1.
What is the InChIKey of (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol?
The InChIKey is ALKKUKDKXHQWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-9-11(5-6-20-9)15(16)14-12(18-3)7-10(17-2)8-13(14)19-4/h7-9,11,15-16H,5-6H2,1-4H3.
What are the key properties of (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol?
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol has a molecular weight of 282.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol is sourced from PubChem (CID 79763064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).