[phenyl(propoxy)methyl] formate

C11H14O3 — CID 54315137

IUPAC[phenyl(propoxy)methyl] formate
SMILESCCCOC(OC=O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-2-8-13-11(14-9-12)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3
InChIKeyBNJPRVNFYKUMBZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.28
Rot. Bonds6

About [phenyl(propoxy)methyl] formate

[phenyl(propoxy)methyl] formate (PubChem CID 54315137) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [phenyl(propoxy)methyl] formate.

Molecular Properties

Compound Name[phenyl(propoxy)methyl] formate
PubChem CID54315137
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[phenyl(propoxy)methyl] formate
SMILESCCCOC(OC=O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-2-8-13-11(14-9-12)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3
InChIKeyBNJPRVNFYKUMBZ-UHFFFAOYSA-N
XLogP2.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
1-phenylpentyl formate
CID 54289292
didecoxymethylbenzene
CID 150039155
1-phenylnonyl formate
CID 174585088
1-phenylheptyl formate
CID 174746901
1-phenyldodecyl formate
CID 91598065
[(1R)-1-phenylethyl] formate
CID 76963066
(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
(1-phenyl-1-propoxypropan-2-yl) propanoate
CID 155148718
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
(2-ethyl-1-phenylheptyl) formate
CID 174539302

Frequently Asked Questions

What is the IUPAC name of [phenyl(propoxy)methyl] formate?
The IUPAC name of [phenyl(propoxy)methyl] formate (CID 54315137) is [phenyl(propoxy)methyl] formate.
What is the SMILES notation for [phenyl(propoxy)methyl] formate?
The canonical SMILES for [phenyl(propoxy)methyl] formate is CCCOC(OC=O)c1ccccc1.
What is the InChIKey of [phenyl(propoxy)methyl] formate?
The InChIKey is BNJPRVNFYKUMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-8-13-11(14-9-12)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3.
What are the key properties of [phenyl(propoxy)methyl] formate?
[phenyl(propoxy)methyl] formate has a molecular weight of 194.23 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(propoxy)methyl] formate is sourced from PubChem (CID 54315137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).