ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate

C16H24O3 — CID 66323180

IUPACethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate
SMILESCCOC(=O)CCC(O)(CC)c1ccc(CC)cc1
InChIInChI=1S/C16H24O3/c1-4-13-7-9-14(10-8-13)16(18,5-2)12-11-15(17)19-6-3/h7-10,18H,4-6,11-12H2,1-3H3
InChIKeyVYYJAPNOYRTQRF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.19
Rot. Bonds7

About ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate

ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate (PubChem CID 66323180) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate.

Molecular Properties

Compound Nameethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate
PubChem CID66323180
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Nameethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate
SMILESCCOC(=O)CCC(O)(CC)c1ccc(CC)cc1
InChIInChI=1S/C16H24O3/c1-4-13-7-9-14(10-8-13)16(18,5-2)12-11-15(17)19-6-3/h7-10,18H,4-6,11-12H2,1-3H3
InChIKeyVYYJAPNOYRTQRF-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)pentan-3-ol
CID 62543234
ethyl 3-[4-(3-hydroxy-3-methylbutyl)phenyl]propanoate
CID 156698914
ethyl 3-(N-(3-ethoxy-3-oxopropyl)-4-ethylanilino)propanoate
CID 102182276
ethyl (2R)-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 159573872
ethyl 4-(4-ethylanilino)-4-oxobutanoate
CID 60636835
ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 9088083
ethyl 4,4-dihydroxypentanoate
CID 123268886
2-(4-ethylphenyl)-1-(propylamino)butan-2-ol
CID 62773198
4-(4-chlorophenyl)-4-hydroxyhexanoic acid
CID 66323409
ethyl 4-(3,4-dichlorophenyl)-4-hydroxypentanoate
CID 66321487
ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate
CID 83042890
ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate
CID 10667517

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate?
The IUPAC name of ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate (CID 66323180) is ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate.
What is the SMILES notation for ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate?
The canonical SMILES for ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate is CCOC(=O)CCC(O)(CC)c1ccc(CC)cc1.
What is the InChIKey of ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate?
The InChIKey is VYYJAPNOYRTQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-13-7-9-14(10-8-13)16(18,5-2)12-11-15(17)19-6-3/h7-10,18H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate?
ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate has a molecular weight of 264.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate is sourced from PubChem (CID 66323180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).