2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol

C16H24O2 — CID 81422138

IUPAC2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol
SMILESCCC1(CC)C(O)C(C)C1c1ccc(OC)cc1
InChIInChI=1S/C16H24O2/c1-5-16(6-2)14(11(3)15(16)17)12-7-9-13(18-4)10-8-12/h7-11,14-15,17H,5-6H2,1-4H3
InChIKeyHVYAFWSNAZSNRC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.60
Rot. Bonds4

About 2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol

2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol (PubChem CID 81422138) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol
PubChem CID81422138
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol
SMILESCCC1(CC)C(O)C(C)C1c1ccc(OC)cc1
InChIInChI=1S/C16H24O2/c1-5-16(6-2)14(11(3)15(16)17)12-7-9-13(18-4)10-8-12/h7-11,14-15,17H,5-6H2,1-4H3
InChIKeyHVYAFWSNAZSNRC-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,3R,4S)-2-(4-methoxyphenyl)-1,3-dimethylcycloheptane-1,4-diol
CID 164678871
3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol
CID 81422777
2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine
CID 81421714
(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
CID 102589589
2-ethyl-3-(4-methoxyphenyl)cyclobutan-1-ol
CID 81416193
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
CID 132838740
ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate
CID 20792268
(1S,2S,3R)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 102481945
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
1-[2,2-dichloro-3-(4-iodophenyl)cyclopropyl]-4-methoxybenzene
CID 134413250

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol (CID 81422138) is 2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol is CCC1(CC)C(O)C(C)C1c1ccc(OC)cc1.
What is the InChIKey of 2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol?
The InChIKey is HVYAFWSNAZSNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-16(6-2)14(11(3)15(16)17)12-7-9-13(18-4)10-8-12/h7-11,14-15,17H,5-6H2,1-4H3.
What are the key properties of 2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol?
2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol is sourced from PubChem (CID 81422138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).