3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

C16H24O3 — CID 79928571

IUPAC3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCOc1ccccc1CC1(O)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H24O3/c1-14(2)11-16(17,15(3,4)19-14)10-12-8-6-7-9-13(12)18-5/h6-9,17H,10-11H2,1-5H3
InChIKeyVNFDCFDWJSTQGR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.95
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79928571) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79928571
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCOc1ccccc1CC1(O)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H24O3/c1-14(2)11-16(17,15(3,4)19-14)10-12-8-6-7-9-13(12)18-5/h6-9,17H,10-11H2,1-5H3
InChIKeyVNFDCFDWJSTQGR-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852943
2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228329
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
1-[(2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65050430
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-oxazolidine
CID 117228325
2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
CID 117226883
1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79834373
2-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 66466669
1-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390367
5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 114239606

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79928571) is 3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is COc1ccccc1CC1(O)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is VNFDCFDWJSTQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-14(2)11-16(17,15(3,4)19-14)10-12-8-6-7-9-13(12)18-5/h6-9,17H,10-11H2,1-5H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 264.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79928571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).