methyl acetate;phenylmethanol

C10H14O3 — CID 174674344

IUPACmethyl acetate;phenylmethanol
SMILESCOC(C)=O.OCc1ccccc1
InChIInChI=1S/C7H8O.C3H6O2/c8-6-7-4-2-1-3-5-7;1-3(4)5-2/h1-5,8H,6H2;1-2H3
InChIKeySKHMSCBRMNYKLX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.36
Rot. Bonds1

About methyl acetate;phenylmethanol

methyl acetate;phenylmethanol (PubChem CID 174674344) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl acetate;phenylmethanol.

Molecular Properties

Compound Namemethyl acetate;phenylmethanol
PubChem CID174674344
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namemethyl acetate;phenylmethanol
SMILESCOC(C)=O.OCc1ccccc1
InChIInChI=1S/C7H8O.C3H6O2/c8-6-7-4-2-1-3-5-7;1-3(4)5-2/h1-5,8H,6H2;1-2H3
InChIKeySKHMSCBRMNYKLX-UHFFFAOYSA-N
XLogP1.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl acetate;phenylmethanol?
The IUPAC name of methyl acetate;phenylmethanol (CID 174674344) is methyl acetate;phenylmethanol.
What is the SMILES notation for methyl acetate;phenylmethanol?
The canonical SMILES for methyl acetate;phenylmethanol is COC(C)=O.OCc1ccccc1.
What is the InChIKey of methyl acetate;phenylmethanol?
The InChIKey is SKHMSCBRMNYKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C3H6O2/c8-6-7-4-2-1-3-5-7;1-3(4)5-2/h1-5,8H,6H2;1-2H3.
What are the key properties of methyl acetate;phenylmethanol?
methyl acetate;phenylmethanol has a molecular weight of 182.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl acetate;phenylmethanol is sourced from PubChem (CID 174674344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).