1-(4-ethoxyphenyl)-1-phenylbutan-1-ol

C18H22O2 — CID 62786789

IUPAC1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)c1ccc(OCC)cc1
InChIInChI=1S/C18H22O2/c1-3-14-18(19,15-8-6-5-7-9-15)16-10-12-17(13-11-16)20-4-2/h5-13,19H,3-4,14H2,1-2H3
InChIKeyPDUANSBXRKOGNM-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.12
Rot. Bonds6

About 1-(4-ethoxyphenyl)-1-phenylbutan-1-ol

1-(4-ethoxyphenyl)-1-phenylbutan-1-ol (PubChem CID 62786789) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
PubChem CID62786789
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)c1ccc(OCC)cc1
InChIInChI=1S/C18H22O2/c1-3-14-18(19,15-8-6-5-7-9-15)16-10-12-17(13-11-16)20-4-2/h5-13,19H,3-4,14H2,1-2H3
InChIKeyPDUANSBXRKOGNM-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
1-(4-ethoxyphenyl)-1-phenylethanamine
CID 62787644
[3-(4-ethoxyphenyl)-3-hydroxy-2-phenylhexyl]-dimethylazanium
CID 5189560
1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol
CID 63155797
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
2-(4-ethoxyphenyl)-2-propylpentan-1-amine
CID 54886699
ethoxybenzene chloride
CID 21193593
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol
CID 111121689
(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 7128599

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-phenylbutan-1-ol?
The IUPAC name of 1-(4-ethoxyphenyl)-1-phenylbutan-1-ol (CID 62786789) is 1-(4-ethoxyphenyl)-1-phenylbutan-1-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-phenylbutan-1-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-phenylbutan-1-ol is CCCC(O)(c1ccccc1)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-phenylbutan-1-ol?
The InChIKey is PDUANSBXRKOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-14-18(19,15-8-6-5-7-9-15)16-10-12-17(13-11-16)20-4-2/h5-13,19H,3-4,14H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-1-phenylbutan-1-ol?
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 62786789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).