3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol

C14H20O3 — CID 81416329

IUPAC3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
SMILESCOc1ccc(C2CC(O)C2(C)C)c(OC)c1
InChIInChI=1S/C14H20O3/c1-14(2)11(8-13(14)15)10-6-5-9(16-3)7-12(10)17-4/h5-7,11,13,15H,8H2,1-4H3
InChIKeyHUGWHMWKFPIDSA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.58
Rot. Bonds3

About 3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol

3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol (PubChem CID 81416329) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
PubChem CID81416329
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
SMILESCOc1ccc(C2CC(O)C2(C)C)c(OC)c1
InChIInChI=1S/C14H20O3/c1-14(2)11(8-13(14)15)10-6-5-9(16-3)7-12(10)17-4/h5-7,11,13,15H,8H2,1-4H3
InChIKeyHUGWHMWKFPIDSA-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81418351
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol
CID 115976609
[(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 178197960
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide
CID 114631523
3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417833
8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 54445831
1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol
CID 117024245
(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837577

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol (CID 81416329) is 3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol is COc1ccc(C2CC(O)C2(C)C)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is HUGWHMWKFPIDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(2)11(8-13(14)15)10-6-5-9(16-3)7-12(10)17-4/h5-7,11,13,15H,8H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol?
3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 81416329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).