acetic acid;phenylmethoxymethylbenzene

C20H26O7 — CID 175214238

IUPACacetic acid;phenylmethoxymethylbenzene
SMILESCC(=O)O.CC(=O)O.CC(=O)O.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.3C2H4O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;3*1-2(3)4/h1-10H,11-12H2;3*1H3,(H,3,4)
InChIKeyLUMWMYVZPFRLGR-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.68
Rot. Bonds4

About acetic acid;phenylmethoxymethylbenzene

acetic acid;phenylmethoxymethylbenzene (PubChem CID 175214238) has the molecular formula C20H26O7 and a molecular weight of 378.42 g/mol. Its IUPAC name is acetic acid;phenylmethoxymethylbenzene.

Molecular Properties

Compound Nameacetic acid;phenylmethoxymethylbenzene
PubChem CID175214238
Molecular FormulaC20H26O7
Molecular Weight378.42 g/mol
Exact Mass378.17
IUPAC Nameacetic acid;phenylmethoxymethylbenzene
SMILESCC(=O)O.CC(=O)O.CC(=O)O.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.3C2H4O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;3*1-2(3)4/h1-10H,11-12H2;3*1H3,(H,3,4)
InChIKeyLUMWMYVZPFRLGR-UHFFFAOYSA-N
XLogP3.68
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;phenylmethoxymethylbenzene
CID 90943549
acetic acid;butoxymethylbenzene
CID 139463153
CID 66734377
CID 66734377
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
N-(phenylmethoxymethyl)acetamide
CID 91608192
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
benzyl acetate
CID 8785
butane;phenol;phenylmethoxymethylbenzene
CID 174556357
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288

Frequently Asked Questions

What is the IUPAC name of acetic acid;phenylmethoxymethylbenzene?
The IUPAC name of acetic acid;phenylmethoxymethylbenzene (CID 175214238) is acetic acid;phenylmethoxymethylbenzene.
What is the SMILES notation for acetic acid;phenylmethoxymethylbenzene?
The canonical SMILES for acetic acid;phenylmethoxymethylbenzene is CC(=O)O.CC(=O)O.CC(=O)O.c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of acetic acid;phenylmethoxymethylbenzene?
The InChIKey is LUMWMYVZPFRLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.3C2H4O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;3*1-2(3)4/h1-10H,11-12H2;3*1H3,(H,3,4).
What are the key properties of acetic acid;phenylmethoxymethylbenzene?
acetic acid;phenylmethoxymethylbenzene has a molecular weight of 378.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;phenylmethoxymethylbenzene is sourced from PubChem (CID 175214238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).