2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol

C17H26O3 — CID 116525140

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1CC(CO)CC1CCC(C)(C)O1
InChIInChI=1S/C17H26O3/c1-17(2)9-8-15(20-17)11-13(12-18)10-14-6-4-5-7-16(14)19-3/h4-7,13,15,18H,8-12H2,1-3H3
InChIKeyUXHPBNKQPSDQDG-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.19
Rot. Bonds6

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol

2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol (PubChem CID 116525140) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol
PubChem CID116525140
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1CC(CO)CC1CCC(C)(C)O1
InChIInChI=1S/C17H26O3/c1-17(2)9-8-15(20-17)11-13(12-18)10-14-6-4-5-7-16(14)19-3/h4-7,13,15,18H,8-12H2,1-3H3
InChIKeyUXHPBNKQPSDQDG-UHFFFAOYSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanol
CID 107713050
2-(ethoxymethyl)-3-(2-methoxyphenyl)propan-1-ol
CID 103985033
5-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-2,2-dimethyloxolane
CID 116525234
2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 66058898
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 102621217
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid
CID 116520653
1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane
CID 116525226

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol (CID 116525140) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol is COc1ccccc1CC(CO)CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
The InChIKey is UXHPBNKQPSDQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-17(2)9-8-15(20-17)11-13(12-18)10-14-6-4-5-7-16(14)19-3/h4-7,13,15,18H,8-12H2,1-3H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-3-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 116525140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).