formic acid;1-phenyl-2-prop-2-enylbenzene

C16H16O2 — CID 174921582

IUPACformic acid;1-phenyl-2-prop-2-enylbenzene
SMILESC=CCc1ccccc1-c1ccccc1.O=CO
InChIInChI=1S/C15H14.CH2O2/c1-2-8-13-11-6-7-12-15(13)14-9-4-3-5-10-14;2-1-3/h2-7,9-12H,1,8H2;1H,(H,2,3)
InChIKeyPMIHDSWJVDCUQR-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.78
Rot. Bonds3

About formic acid;1-phenyl-2-prop-2-enylbenzene

formic acid;1-phenyl-2-prop-2-enylbenzene (PubChem CID 174921582) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is formic acid;1-phenyl-2-prop-2-enylbenzene.

Molecular Properties

Compound Nameformic acid;1-phenyl-2-prop-2-enylbenzene
PubChem CID174921582
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Nameformic acid;1-phenyl-2-prop-2-enylbenzene
SMILESC=CCc1ccccc1-c1ccccc1.O=CO
InChIInChI=1S/C15H14.CH2O2/c1-2-8-13-11-6-7-12-15(13)14-9-4-3-5-10-14;2-1-3/h2-7,9-12H,1,8H2;1H,(H,2,3)
InChIKeyPMIHDSWJVDCUQR-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.78
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'}

Analyze formic acid;1-phenyl-2-prop-2-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
1-phenyl-2-prop-2-enylbenzene;stilbene
CID 173298564
2-[2-(4-phenylphenyl)phenyl]acetaldehyde
CID 87253874
2-prop-2-enylbenzoic acid
CID 2752991
sodium;naphthalene-1-sulfonate;1-phenyl-2-prop-2-enylbenzene
CID 174496781
N-[(2-phenylphenyl)methyl]prop-2-en-1-amine
CID 90242469
3-azulen-1-ylprop-1-en-1-ol
CID 67644602
1-benzyl-2-(2-prop-2-enylphenyl)benzene
CID 173274137
2-(2-prop-2-enylphenyl)phenol;sulfuric acid
CID 67728772
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
2-isothiocyanato-1-phenyl-3-prop-2-enylbenzene
CID 87996745

Frequently Asked Questions

What is the IUPAC name of formic acid;1-phenyl-2-prop-2-enylbenzene?
The IUPAC name of formic acid;1-phenyl-2-prop-2-enylbenzene (CID 174921582) is formic acid;1-phenyl-2-prop-2-enylbenzene.
What is the SMILES notation for formic acid;1-phenyl-2-prop-2-enylbenzene?
The canonical SMILES for formic acid;1-phenyl-2-prop-2-enylbenzene is C=CCc1ccccc1-c1ccccc1.O=CO.
What is the InChIKey of formic acid;1-phenyl-2-prop-2-enylbenzene?
The InChIKey is PMIHDSWJVDCUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14.CH2O2/c1-2-8-13-11-6-7-12-15(13)14-9-4-3-5-10-14;2-1-3/h2-7,9-12H,1,8H2;1H,(H,2,3).
What are the key properties of formic acid;1-phenyl-2-prop-2-enylbenzene?
formic acid;1-phenyl-2-prop-2-enylbenzene has a molecular weight of 240.30 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-phenyl-2-prop-2-enylbenzene is sourced from PubChem (CID 174921582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).