1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol

C19H22O2 — CID 116505724

IUPAC1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol
SMILESOC(CCOc1ccccc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C19H22O2/c20-19(13-14-21-18-7-2-1-3-8-18)17-11-9-16(10-12-17)15-5-4-6-15/h1-3,7-12,15,19-20H,4-6,13-14H2
InChIKeyYAVPBKYQYBCTGB-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.46
Rot. Bonds6

About 1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol

1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol (PubChem CID 116505724) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol
PubChem CID116505724
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol
SMILESOC(CCOc1ccccc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C19H22O2/c20-19(13-14-21-18-7-2-1-3-8-18)17-11-9-16(10-12-17)15-5-4-6-15/h1-3,7-12,15,19-20H,4-6,13-14H2
InChIKeyYAVPBKYQYBCTGB-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
3-phenoxy-1-pyridin-4-ylpropan-1-ol
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3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 62790964
1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
CID 103459446
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanol
CID 105129139
1,5-diphenoxypentan-3-ol
CID 5314309
1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol?
The IUPAC name of 1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol (CID 116505724) is 1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol?
The canonical SMILES for 1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol is OC(CCOc1ccccc1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol?
The InChIKey is YAVPBKYQYBCTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c20-19(13-14-21-18-7-2-1-3-8-18)17-11-9-16(10-12-17)15-5-4-6-15/h1-3,7-12,15,19-20H,4-6,13-14H2.
What are the key properties of 1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol?
1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol is sourced from PubChem (CID 116505724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).