3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol

C14H20O3 — CID 66366678

IUPAC3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
SMILESCOc1cc(C)ccc1OC1CC(O)C1(C)C
InChIInChI=1S/C14H20O3/c1-9-5-6-10(11(7-9)16-4)17-13-8-12(15)14(13,2)3/h5-7,12-13,15H,8H2,1-4H3
InChIKeyHBWXBZJZJFDGBY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.54
Rot. Bonds3

About 3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol

3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol (PubChem CID 66366678) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
PubChem CID66366678
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
SMILESCOc1cc(C)ccc1OC1CC(O)C1(C)C
InChIInChI=1S/C14H20O3/c1-9-5-6-10(11(7-9)16-4)17-13-8-12(15)14(13,2)3/h5-7,12-13,15H,8H2,1-4H3
InChIKeyHBWXBZJZJFDGBY-UHFFFAOYSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine
CID 66358567
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 114631537
2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one
CID 66366795
2-(3-chloro-2,2-dimethylcyclobutyl)oxy-1-fluoro-4-methylbenzene
CID 66344341
3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66367122
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66350732
3-(2-fluoro-5-methylphenoxy)spiro[3.6]decan-1-ol
CID 66344599
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66345004
6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
CID 90715574
6-(2-methoxy-5-methylphenyl)bicyclo[3.1.0]hexan-6-ol
CID 79332087

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol (CID 66366678) is 3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol is COc1cc(C)ccc1OC1CC(O)C1(C)C.
What is the InChIKey of 3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is HBWXBZJZJFDGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-9-5-6-10(11(7-9)16-4)17-13-8-12(15)14(13,2)3/h5-7,12-13,15H,8H2,1-4H3.
What are the key properties of 3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol?
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 66366678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).