(3-hydroxy-3-methyl-5-phenylpentyl) acetate

C14H20O3 — CID 14382134

IUPAC(3-hydroxy-3-methyl-5-phenylpentyl) acetate
SMILESCC(=O)OCCC(C)(O)CCc1ccccc1
InChIInChI=1S/C14H20O3/c1-12(15)17-11-10-14(2,16)9-8-13-6-4-3-5-7-13/h3-7,16H,8-11H2,1-2H3
InChIKeyHSQCUUTYJUGURK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.32
Rot. Bonds6

About (3-hydroxy-3-methyl-5-phenylpentyl) acetate

(3-hydroxy-3-methyl-5-phenylpentyl) acetate (PubChem CID 14382134) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3-hydroxy-3-methyl-5-phenylpentyl) acetate.

Molecular Properties

Compound Name(3-hydroxy-3-methyl-5-phenylpentyl) acetate
PubChem CID14382134
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(3-hydroxy-3-methyl-5-phenylpentyl) acetate
SMILESCC(=O)OCCC(C)(O)CCc1ccccc1
InChIInChI=1S/C14H20O3/c1-12(15)17-11-10-14(2,16)9-8-13-6-4-3-5-7-13/h3-7,16H,8-11H2,1-2H3
InChIKeyHSQCUUTYJUGURK-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-phenylbutan-2-ol;2-phenylethyl acetate
CID 71092180
(3-acetamido-3-methyl-5-phenylpentyl) acetate
CID 10683940
2-phenylethyl acetate
CID 7654
acetic acid;2-phenylethyl acetate
CID 174791962
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906
(2-methyl-4-phenylbutan-2-yl) 6-acetyloxy-2-ethylhexanoate
CID 70267037
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(3-oxo-7-phenylheptyl) acetate
CID 175000203
[(E)-7-phenylhept-3-enyl] acetate
CID 102243528
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methyl-5-phenylpentyl) acetate?
The IUPAC name of (3-hydroxy-3-methyl-5-phenylpentyl) acetate (CID 14382134) is (3-hydroxy-3-methyl-5-phenylpentyl) acetate.
What is the SMILES notation for (3-hydroxy-3-methyl-5-phenylpentyl) acetate?
The canonical SMILES for (3-hydroxy-3-methyl-5-phenylpentyl) acetate is CC(=O)OCCC(C)(O)CCc1ccccc1.
What is the InChIKey of (3-hydroxy-3-methyl-5-phenylpentyl) acetate?
The InChIKey is HSQCUUTYJUGURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-12(15)17-11-10-14(2,16)9-8-13-6-4-3-5-7-13/h3-7,16H,8-11H2,1-2H3.
What are the key properties of (3-hydroxy-3-methyl-5-phenylpentyl) acetate?
(3-hydroxy-3-methyl-5-phenylpentyl) acetate has a molecular weight of 236.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methyl-5-phenylpentyl) acetate is sourced from PubChem (CID 14382134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).