4-(4-ethoxyphenyl)heptan-4-ol

C15H24O2 — CID 114865928

IUPAC4-(4-ethoxyphenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1ccc(OCC)cc1
InChIInChI=1S/C15H24O2/c1-4-11-15(16,12-5-2)13-7-9-14(10-8-13)17-6-3/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyBEQGFKDGDDBKTR-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.87
Rot. Bonds7

About 4-(4-ethoxyphenyl)heptan-4-ol

4-(4-ethoxyphenyl)heptan-4-ol (PubChem CID 114865928) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)heptan-4-ol.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)heptan-4-ol
PubChem CID114865928
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-(4-ethoxyphenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1ccc(OCC)cc1
InChIInChI=1S/C15H24O2/c1-4-11-15(16,12-5-2)13-7-9-14(10-8-13)17-6-3/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyBEQGFKDGDDBKTR-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol
CID 3125347
(3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol
CID 775832
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
4-(4-propan-2-yloxyphenyl)heptan-4-ol
CID 114866121
2-(4-ethoxyphenyl)-2-propylpentan-1-amine
CID 54886699
1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol
CID 3242685
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)heptan-4-ol?
The IUPAC name of 4-(4-ethoxyphenyl)heptan-4-ol (CID 114865928) is 4-(4-ethoxyphenyl)heptan-4-ol.
What is the SMILES notation for 4-(4-ethoxyphenyl)heptan-4-ol?
The canonical SMILES for 4-(4-ethoxyphenyl)heptan-4-ol is CCCC(O)(CCC)c1ccc(OCC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)heptan-4-ol?
The InChIKey is BEQGFKDGDDBKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-11-15(16,12-5-2)13-7-9-14(10-8-13)17-6-3/h7-10,16H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenyl)heptan-4-ol?
4-(4-ethoxyphenyl)heptan-4-ol has a molecular weight of 236.35 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)heptan-4-ol is sourced from PubChem (CID 114865928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).