3-ethoxy-3-ethyl-1-phenylpentan-2-ol

C15H24O2 — CID 116752448

IUPAC3-ethoxy-3-ethyl-1-phenylpentan-2-ol
SMILESCCOC(CC)(CC)C(O)Cc1ccccc1
InChIInChI=1S/C15H24O2/c1-4-15(5-2,17-6-3)14(16)12-13-10-8-7-9-11-13/h7-11,14,16H,4-6,12H2,1-3H3
InChIKeyPRIBUAZOGOXCQO-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.19
Rot. Bonds7

About 3-ethoxy-3-ethyl-1-phenylpentan-2-ol

3-ethoxy-3-ethyl-1-phenylpentan-2-ol (PubChem CID 116752448) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-1-phenylpentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-1-phenylpentan-2-ol
PubChem CID116752448
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-ethoxy-3-ethyl-1-phenylpentan-2-ol
SMILESCCOC(CC)(CC)C(O)Cc1ccccc1
InChIInChI=1S/C15H24O2/c1-4-15(5-2,17-6-3)14(16)12-13-10-8-7-9-11-13/h7-11,14,16H,4-6,12H2,1-3H3
InChIKeyPRIBUAZOGOXCQO-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-methoxy-1-phenylpentan-2-ol
CID 116752734
3-ethoxy-3-ethyl-1-phenylpentan-2-amine
CID 116759543
3,3-diethyl-1-phenylpentan-2-ol
CID 141275578
3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
CID 116759829
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol
CID 103039717
1-(4-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-ol
CID 116752512
acetic acid;1,1,1-trichloro-3-phenylpropan-2-ol
CID 174431181
1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752655
2,3-dihydroxy-2-methyl-4-phenylbutanoic acid
CID 77254762
(3S)-2-benzyl-4-phenylbutane-1,2,3-triol
CID 66810886

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-1-phenylpentan-2-ol?
The IUPAC name of 3-ethoxy-3-ethyl-1-phenylpentan-2-ol (CID 116752448) is 3-ethoxy-3-ethyl-1-phenylpentan-2-ol.
What is the SMILES notation for 3-ethoxy-3-ethyl-1-phenylpentan-2-ol?
The canonical SMILES for 3-ethoxy-3-ethyl-1-phenylpentan-2-ol is CCOC(CC)(CC)C(O)Cc1ccccc1.
What is the InChIKey of 3-ethoxy-3-ethyl-1-phenylpentan-2-ol?
The InChIKey is PRIBUAZOGOXCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-15(5-2,17-6-3)14(16)12-13-10-8-7-9-11-13/h7-11,14,16H,4-6,12H2,1-3H3.
What are the key properties of 3-ethoxy-3-ethyl-1-phenylpentan-2-ol?
3-ethoxy-3-ethyl-1-phenylpentan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-1-phenylpentan-2-ol is sourced from PubChem (CID 116752448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).