[5-hydroxy-2-(2-phenylethyl)pentyl] acetate

C15H22O3 — CID 139794591

IUPAC[5-hydroxy-2-(2-phenylethyl)pentyl] acetate
SMILESCC(=O)OCC(CCCO)CCc1ccccc1
InChIInChI=1S/C15H22O3/c1-13(17)18-12-15(8-5-11-16)10-9-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-12H2,1H3
InChIKeyLQMFERSDIODVRQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.57
Rot. Bonds8

About [5-hydroxy-2-(2-phenylethyl)pentyl] acetate

[5-hydroxy-2-(2-phenylethyl)pentyl] acetate (PubChem CID 139794591) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is [5-hydroxy-2-(2-phenylethyl)pentyl] acetate.

Molecular Properties

Compound Name[5-hydroxy-2-(2-phenylethyl)pentyl] acetate
PubChem CID139794591
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name[5-hydroxy-2-(2-phenylethyl)pentyl] acetate
SMILESCC(=O)OCC(CCCO)CCc1ccccc1
InChIInChI=1S/C15H22O3/c1-13(17)18-12-15(8-5-11-16)10-9-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-12H2,1H3
InChIKeyLQMFERSDIODVRQ-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-3-(2-phenylethyl)hexan-2-one
CID 174363911
(2-acetyloxy-4-phenylbutyl) acetate
CID 15049204
benzene;ethyl acetate;3-phenylpropan-1-ol
CID 158644115
(9-hydroxy-1-phenylnonan-3-yl) acetate
CID 10850236
[(2R,3R)-2,3-dihydroxy-4-phenylbutyl] acetate
CID 10585224
2-phenylethyl acetate
CID 7654
2-butylhexyl (2S)-2-amino-3-phenylpropanoate
CID 168741715
ethyl 3-(2-phenylethyl)heptanoate
CID 102077330
2-octyldecyl 4-phenylbutanoate
CID 129279236
2-decyldodecyl 4-phenylbutanoate
CID 129279275
3-(2-hydroxyethyl)-5-phenylpentan-2-one
CID 103344035
acetyl 2-methyl-4-phenylbutanoate
CID 174376937

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-(2-phenylethyl)pentyl] acetate?
The IUPAC name of [5-hydroxy-2-(2-phenylethyl)pentyl] acetate (CID 139794591) is [5-hydroxy-2-(2-phenylethyl)pentyl] acetate.
What is the SMILES notation for [5-hydroxy-2-(2-phenylethyl)pentyl] acetate?
The canonical SMILES for [5-hydroxy-2-(2-phenylethyl)pentyl] acetate is CC(=O)OCC(CCCO)CCc1ccccc1.
What is the InChIKey of [5-hydroxy-2-(2-phenylethyl)pentyl] acetate?
The InChIKey is LQMFERSDIODVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-13(17)18-12-15(8-5-11-16)10-9-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-12H2,1H3.
What are the key properties of [5-hydroxy-2-(2-phenylethyl)pentyl] acetate?
[5-hydroxy-2-(2-phenylethyl)pentyl] acetate has a molecular weight of 250.34 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-(2-phenylethyl)pentyl] acetate is sourced from PubChem (CID 139794591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).