acetic acid;5-phenylmethoxypentan-1-ol

C14H22O4 — CID 71441282

IUPACacetic acid;5-phenylmethoxypentan-1-ol
SMILESCC(=O)O.OCCCCCOCc1ccccc1
InChIInChI=1S/C12H18O2.C2H4O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12;1-2(3)4/h1,3-4,7-8,13H,2,5-6,9-11H2;1H3,(H,3,4)
InChIKeyKTVCDVYNBJGMHU-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.46
Rot. Bonds7

About acetic acid;5-phenylmethoxypentan-1-ol

acetic acid;5-phenylmethoxypentan-1-ol (PubChem CID 71441282) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is acetic acid;5-phenylmethoxypentan-1-ol.

Molecular Properties

Compound Nameacetic acid;5-phenylmethoxypentan-1-ol
PubChem CID71441282
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nameacetic acid;5-phenylmethoxypentan-1-ol
SMILESCC(=O)O.OCCCCCOCc1ccccc1
InChIInChI=1S/C12H18O2.C2H4O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12;1-2(3)4/h1,3-4,7-8,13H,2,5-6,9-11H2;1H3,(H,3,4)
InChIKeyKTVCDVYNBJGMHU-UHFFFAOYSA-N
XLogP2.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
acetic acid;butoxymethylbenzene
CID 139463153
acetic acid;phenylmethoxymethylbenzene
CID 175214238
5-[(4-phenoxyphenyl)methoxy]pentan-1-ol
CID 22357963
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
methyl 8-phenylmethoxyoctanoate
CID 562206
(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
CID 142611207
8-methylnon-8-enoxymethylbenzene
CID 10776845
7-(2-methylprop-2-enoxy)heptoxymethylbenzene
CID 19780192
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
azane;hexoxymethylbenzene
CID 174805489

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-phenylmethoxypentan-1-ol?
The IUPAC name of acetic acid;5-phenylmethoxypentan-1-ol (CID 71441282) is acetic acid;5-phenylmethoxypentan-1-ol.
What is the SMILES notation for acetic acid;5-phenylmethoxypentan-1-ol?
The canonical SMILES for acetic acid;5-phenylmethoxypentan-1-ol is CC(=O)O.OCCCCCOCc1ccccc1.
What is the InChIKey of acetic acid;5-phenylmethoxypentan-1-ol?
The InChIKey is KTVCDVYNBJGMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C2H4O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12;1-2(3)4/h1,3-4,7-8,13H,2,5-6,9-11H2;1H3,(H,3,4).
What are the key properties of acetic acid;5-phenylmethoxypentan-1-ol?
acetic acid;5-phenylmethoxypentan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-phenylmethoxypentan-1-ol is sourced from PubChem (CID 71441282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).