1,2-bis(prop-2-enyl)benzene;formic acid

C13H16O2 — CID 174684610

IUPAC1,2-bis(prop-2-enyl)benzene;formic acid
SMILESC=CCc1ccccc1CC=C.O=CO
InChIInChI=1S/C12H14.CH2O2/c1-3-7-11-9-5-6-10-12(11)8-4-2;2-1-3/h3-6,9-10H,1-2,7-8H2;1H,(H,2,3)
InChIKeyFNHGGUSVPZNPLZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.84
Rot. Bonds4

About 1,2-bis(prop-2-enyl)benzene;formic acid

1,2-bis(prop-2-enyl)benzene;formic acid (PubChem CID 174684610) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)benzene;formic acid.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)benzene;formic acid
PubChem CID174684610
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1,2-bis(prop-2-enyl)benzene;formic acid
SMILESC=CCc1ccccc1CC=C.O=CO
InChIInChI=1S/C12H14.CH2O2/c1-3-7-11-9-5-6-10-12(11)8-4-2;2-1-3/h3-6,9-10H,1-2,7-8H2;1H,(H,2,3)
InChIKeyFNHGGUSVPZNPLZ-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
formic acid;1-phenyl-2-prop-2-enylbenzene
CID 174921582
(2-prop-2-enylphenyl)methyl formate
CID 173226102
2-prop-2-enylbenzoic acid
CID 2752991
calcium bis(2-prop-2-enylbenzenethiolate)
CID 175031842
1-prop-2-enyl-2-propylbenzene
CID 12585186
formic acid;3-prop-2-enylnaphthalene-1,2-diol
CID 174619626
boric acid;2-prop-2-enylphenol
CID 70457137
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
(2-prop-2-enylphenyl) 2-oxoacetate
CID 87234163
2-prop-2-enylaniline
CID 3036592

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enyl)benzene;formic acid?
The IUPAC name of 1,2-bis(prop-2-enyl)benzene;formic acid (CID 174684610) is 1,2-bis(prop-2-enyl)benzene;formic acid.
What is the SMILES notation for 1,2-bis(prop-2-enyl)benzene;formic acid?
The canonical SMILES for 1,2-bis(prop-2-enyl)benzene;formic acid is C=CCc1ccccc1CC=C.O=CO.
What is the InChIKey of 1,2-bis(prop-2-enyl)benzene;formic acid?
The InChIKey is FNHGGUSVPZNPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.CH2O2/c1-3-7-11-9-5-6-10-12(11)8-4-2;2-1-3/h3-6,9-10H,1-2,7-8H2;1H,(H,2,3).
What are the key properties of 1,2-bis(prop-2-enyl)benzene;formic acid?
1,2-bis(prop-2-enyl)benzene;formic acid has a molecular weight of 204.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)benzene;formic acid is sourced from PubChem (CID 174684610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).