1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol

C15H20O3 — CID 117374029

IUPAC1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1ccc(CC2(O)CC2)cc1OC1CCC1
InChIInChI=1S/C15H20O3/c1-17-13-6-5-11(10-15(16)7-8-15)9-14(13)18-12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3
InChIKeyGORKDMQCMLQBIK-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.69
Rot. Bonds5

About 1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol

1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol (PubChem CID 117374029) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
PubChem CID117374029
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1ccc(CC2(O)CC2)cc1OC1CCC1
InChIInChI=1S/C15H20O3/c1-17-13-6-5-11(10-15(16)7-8-15)9-14(13)18-12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3
InChIKeyGORKDMQCMLQBIK-UHFFFAOYSA-N
XLogP2.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117469540
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
1-cyclopentyl-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 110992277
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol (CID 117374029) is 1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol is COc1ccc(CC2(O)CC2)cc1OC1CCC1.
What is the InChIKey of 1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol?
The InChIKey is GORKDMQCMLQBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-13-6-5-11(10-15(16)7-8-15)9-14(13)18-12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3.
What are the key properties of 1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol?
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117374029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).