methyl 8-phenylmethoxyoctanoate

C16H24O3 — CID 562206

IUPACmethyl 8-phenylmethoxyoctanoate
SMILESCOC(=O)CCCCCCCOCc1ccccc1
InChIInChI=1S/C16H24O3/c1-18-16(17)12-8-3-2-4-9-13-19-14-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3
InChIKeyZUOSZZRANNZOET-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.72
Rot. Bonds10

About methyl 8-phenylmethoxyoctanoate

methyl 8-phenylmethoxyoctanoate (PubChem CID 562206) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 8-phenylmethoxyoctanoate.

Molecular Properties

Compound Namemethyl 8-phenylmethoxyoctanoate
PubChem CID562206
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Namemethyl 8-phenylmethoxyoctanoate
SMILESCOC(=O)CCCCCCCOCc1ccccc1
InChIInChI=1S/C16H24O3/c1-18-16(17)12-8-3-2-4-9-13-19-14-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3
InChIKeyZUOSZZRANNZOET-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methyl-8-phenylmethoxyoctanamide
CID 169498132
(2Z)-2-ethylidene-6-phenylmethoxyhexanoic acid
CID 102373802
methyl 3-[[4-[(3-methoxy-3-oxopropoxy)methyl]phenyl]methoxy]propanoate
CID 142715469
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
8-methylnon-8-enoxymethylbenzene
CID 10776845
chloro 4-phenylmethoxybutanoate
CID 143253301
methyl 4-(3-phenylmethoxypropoxy)hept-6-enoate
CID 19874730
nonanoic acid;3-phenylmethoxypropyl octanoate
CID 168884740
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide
CID 102329033
[2-(octanoyloxymethyl)-7-phenylmethoxyheptyl] octanoate
CID 118165534
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
CID 162408716
CID 162408716

Frequently Asked Questions

What is the IUPAC name of methyl 8-phenylmethoxyoctanoate?
The IUPAC name of methyl 8-phenylmethoxyoctanoate (CID 562206) is methyl 8-phenylmethoxyoctanoate.
What is the SMILES notation for methyl 8-phenylmethoxyoctanoate?
The canonical SMILES for methyl 8-phenylmethoxyoctanoate is COC(=O)CCCCCCCOCc1ccccc1.
What is the InChIKey of methyl 8-phenylmethoxyoctanoate?
The InChIKey is ZUOSZZRANNZOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-18-16(17)12-8-3-2-4-9-13-19-14-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3.
What are the key properties of methyl 8-phenylmethoxyoctanoate?
methyl 8-phenylmethoxyoctanoate has a molecular weight of 264.37 g/mol, XLogP of 3.72, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-phenylmethoxyoctanoate is sourced from PubChem (CID 562206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).