2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol

C17H16O — CID 70429163

IUPAC2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol
SMILESC=C(C)c1cccc(O)c1C=Cc1ccccc1
InChIInChI=1S/C17H16O/c1-13(2)15-9-6-10-17(18)16(15)12-11-14-7-4-3-5-8-14/h3-12,18H,1H2,2H3
InChIKeyMDOAKKGMFWQXFC-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.60
Rot. Bonds3

About 2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol

2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol (PubChem CID 70429163) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol
PubChem CID70429163
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol
SMILESC=C(C)c1cccc(O)c1C=Cc1ccccc1
InChIInChI=1S/C17H16O/c1-13(2)15-9-6-10-17(18)16(15)12-11-14-7-4-3-5-8-14/h3-12,18H,1H2,2H3
InChIKeyMDOAKKGMFWQXFC-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
actinium;2-prop-1-en-2-ylphenol
CID 20669246
4-methyl-2-(2-phenylethenyl)benzene-1,3-diol
CID 135318520
2,3-bis(prop-1-en-2-yl)phenol
CID 68747547
acetic acid;stilbene
CID 172803728
CID 172791684
CID 172791684
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
2-chloroethenylbenzene;2-methylprop-1-ene
CID 174753636
2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol
CID 19013042
2-phenylethenol;prop-1-en-2-ylbenzene
CID 162256801
1,2-bis(prop-1-en-2-yl)benzene;toluene
CID 173384676

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol?
The IUPAC name of 2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol (CID 70429163) is 2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol.
What is the SMILES notation for 2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol?
The canonical SMILES for 2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol is C=C(C)c1cccc(O)c1C=Cc1ccccc1.
What is the InChIKey of 2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol?
The InChIKey is MDOAKKGMFWQXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-13(2)15-9-6-10-17(18)16(15)12-11-14-7-4-3-5-8-14/h3-12,18H,1H2,2H3.
What are the key properties of 2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol?
2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol has a molecular weight of 236.31 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-3-prop-1-en-2-ylphenol is sourced from PubChem (CID 70429163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).