(4-methylphenyl)methyl formate

C9H10O2 — CID 18615019

IUPAC(4-methylphenyl)methyl formate
SMILESCc1ccc(COC=O)cc1
InChIInChI=1S/C9H10O2/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5,7H,6H2,1H3
InChIKeyMWCCNIVWHAWABQ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.67
Rot. Bonds3

About (4-methylphenyl)methyl formate

(4-methylphenyl)methyl formate (PubChem CID 18615019) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (4-methylphenyl)methyl formate.

Molecular Properties

Compound Name(4-methylphenyl)methyl formate
PubChem CID18615019
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(4-methylphenyl)methyl formate
SMILESCc1ccc(COC=O)cc1
InChIInChI=1S/C9H10O2/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5,7H,6H2,1H3
InChIKeyMWCCNIVWHAWABQ-UHFFFAOYSA-N
XLogP1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl formate?
The IUPAC name of (4-methylphenyl)methyl formate (CID 18615019) is (4-methylphenyl)methyl formate.
What is the SMILES notation for (4-methylphenyl)methyl formate?
The canonical SMILES for (4-methylphenyl)methyl formate is Cc1ccc(COC=O)cc1.
What is the InChIKey of (4-methylphenyl)methyl formate?
The InChIKey is MWCCNIVWHAWABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5,7H,6H2,1H3.
What are the key properties of (4-methylphenyl)methyl formate?
(4-methylphenyl)methyl formate has a molecular weight of 150.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl formate is sourced from PubChem (CID 18615019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).