3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol

C17H26O3 — CID 81416544

IUPAC3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol
SMILESCCCCOc1ccc(C2CC(O)C2CC)cc1OC
InChIInChI=1S/C17H26O3/c1-4-6-9-20-16-8-7-12(10-17(16)19-3)14-11-15(18)13(14)5-2/h7-8,10,13-15,18H,4-6,9,11H2,1-3H3
InChIKeyHHKOFBBJJQFGBH-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.75
Rot. Bonds7

About 3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol

3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol (PubChem CID 81416544) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol
PubChem CID81416544
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol
SMILESCCCCOc1ccc(C2CC(O)C2CC)cc1OC
InChIInChI=1S/C17H26O3/c1-4-6-9-20-16-8-7-12(10-17(16)19-3)14-11-15(18)13(14)5-2/h7-8,10,13-15,18H,4-6,9,11H2,1-3H3
InChIKeyHHKOFBBJJQFGBH-UHFFFAOYSA-N
XLogP3.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethoxyphenyl)-2-ethylcyclobutan-1-ol
CID 81416198
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride
CID 82368542
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
(4-butoxy-3-methoxyphenyl)methylazanium
CID 7139463
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
4-butoxy-3-methoxybenzamide
CID 47102628
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652
(3S,5S)-5-butoxy-3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-1,2-oxazolidine
CID 7070351

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol?
The IUPAC name of 3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol (CID 81416544) is 3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol.
What is the SMILES notation for 3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol?
The canonical SMILES for 3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol is CCCCOc1ccc(C2CC(O)C2CC)cc1OC.
What is the InChIKey of 3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol?
The InChIKey is HHKOFBBJJQFGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-4-6-9-20-16-8-7-12(10-17(16)19-3)14-11-15(18)13(14)5-2/h7-8,10,13-15,18H,4-6,9,11H2,1-3H3.
What are the key properties of 3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol?
3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol is sourced from PubChem (CID 81416544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).