3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol

C15H21BrO2 — CID 82825677

IUPAC3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1OCc1ccc(Br)cc1
InChIInChI=1S/C15H21BrO2/c1-3-15(4-2)13(17)9-14(15)18-10-11-5-7-12(16)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyHVXCQWKHSSOXQC-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.91
Rot. Bonds5

About 3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol

3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol (PubChem CID 82825677) has the molecular formula C15H21BrO2 and a molecular weight of 313.23 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol
PubChem CID82825677
Molecular FormulaC15H21BrO2
Molecular Weight313.23 g/mol
Exact Mass312.07
IUPAC Name3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1OCc1ccc(Br)cc1
InChIInChI=1S/C15H21BrO2/c1-3-15(4-2)13(17)9-14(15)18-10-11-5-7-12(16)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyHVXCQWKHSSOXQC-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine
CID 82808639
3-ethoxy-2,2-diethylcyclobutan-1-ol
CID 64569995
2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol
CID 66344808
2,2-diethyl-3-(3-phenylpropoxy)cyclobutan-1-ol
CID 66344797
1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene
CID 63458050
3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine
CID 82825839
2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol
CID 66366275
3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine
CID 82807037
2,2-diethyl-3-heptoxycyclobutan-1-ol
CID 66368150
ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate
CID 130399632
3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol
CID 66368713
2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol
CID 66367501

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol (CID 82825677) is 3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol is CCC1(CC)C(O)CC1OCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol?
The InChIKey is HVXCQWKHSSOXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-3-15(4-2)13(17)9-14(15)18-10-11-5-7-12(16)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol?
3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol has a molecular weight of 313.23 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol is sourced from PubChem (CID 82825677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).