(2-prop-2-enylphenyl)methyl formate

C11H12O2 — CID 173226102

IUPAC(2-prop-2-enylphenyl)methyl formate
SMILESC=CCc1ccccc1COC=O
InChIInChI=1S/C11H12O2/c1-2-5-10-6-3-4-7-11(10)8-13-9-12/h2-4,6-7,9H,1,5,8H2
InChIKeyIZKDGRQNACHHDX-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.09
Rot. Bonds5

About (2-prop-2-enylphenyl)methyl formate

(2-prop-2-enylphenyl)methyl formate (PubChem CID 173226102) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2-prop-2-enylphenyl)methyl formate.

Molecular Properties

Compound Name(2-prop-2-enylphenyl)methyl formate
PubChem CID173226102
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(2-prop-2-enylphenyl)methyl formate
SMILESC=CCc1ccccc1COC=O
InChIInChI=1S/C11H12O2/c1-2-5-10-6-3-4-7-11(10)8-13-9-12/h2-4,6-7,9H,1,5,8H2
InChIKeyIZKDGRQNACHHDX-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
(2-sulfanylphenyl)methyl formate
CID 59818998
1-(ethynoxymethyl)-2-prop-2-enylbenzene
CID 164817819
calcium bis(2-prop-2-enylbenzenethiolate)
CID 175031842
1-prop-2-enyl-2-propylbenzene
CID 12585186
2-[(2-prop-2-enylphenyl)methoxymethyl]oxirane
CID 135350457
anthracen-1-ylmethyl formate
CID 54364674
benzene;(2-carbamoylphenyl)methyl formate
CID 174940813
2,6-bis(prop-2-enyl)benzonitrile
CID 67300787
(2,3-dibromophenyl)methyl formate
CID 173425977
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enylphenyl)methyl formate?
The IUPAC name of (2-prop-2-enylphenyl)methyl formate (CID 173226102) is (2-prop-2-enylphenyl)methyl formate.
What is the SMILES notation for (2-prop-2-enylphenyl)methyl formate?
The canonical SMILES for (2-prop-2-enylphenyl)methyl formate is C=CCc1ccccc1COC=O.
What is the InChIKey of (2-prop-2-enylphenyl)methyl formate?
The InChIKey is IZKDGRQNACHHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-5-10-6-3-4-7-11(10)8-13-9-12/h2-4,6-7,9H,1,5,8H2.
What are the key properties of (2-prop-2-enylphenyl)methyl formate?
(2-prop-2-enylphenyl)methyl formate has a molecular weight of 176.21 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enylphenyl)methyl formate is sourced from PubChem (CID 173226102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).