benzene;phenol;prop-2-enoic acid

C15H16O3 — CID 174875932

IUPACbenzene;phenol;prop-2-enoic acid
SMILESC=CC(=O)O.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C6H6O.C6H6.C3H4O2/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-3(4)5/h1-5,7H;1-6H;2H,1H2,(H,4,5)
InChIKeyUGHADNKFNZNJIB-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.34
Rot. Bonds1

About benzene;phenol;prop-2-enoic acid

benzene;phenol;prop-2-enoic acid (PubChem CID 174875932) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is benzene;phenol;prop-2-enoic acid.

Molecular Properties

Compound Namebenzene;phenol;prop-2-enoic acid
PubChem CID174875932
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namebenzene;phenol;prop-2-enoic acid
SMILESC=CC(=O)O.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C6H6O.C6H6.C3H4O2/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-3(4)5/h1-5,7H;1-6H;2H,1H2,(H,4,5)
InChIKeyUGHADNKFNZNJIB-UHFFFAOYSA-N
XLogP3.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

phenol;bis(prop-2-enoic acid);hydrofluoride
CID 175753146
oxirane;phenol;bis(prop-2-enoic acid)
CID 158727364
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
benzene-1,4-diol;methoxymethane;prop-2-enoic acid
CID 67882333
chloroethene;phenol
CID 19792278
benzene;phenol;prop-1-ene
CID 174830652
benzene;formaldehyde;phenol;hydrate
CID 174789223
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
prop-2-enoic acid;styrene
CID 160851252
ethene;phenol
CID 22228706
molecular oxygen;phenol
CID 141080591
phenoxybenzene;prop-2-enoic acid
CID 66735010

Frequently Asked Questions

What is the IUPAC name of benzene;phenol;prop-2-enoic acid?
The IUPAC name of benzene;phenol;prop-2-enoic acid (CID 174875932) is benzene;phenol;prop-2-enoic acid.
What is the SMILES notation for benzene;phenol;prop-2-enoic acid?
The canonical SMILES for benzene;phenol;prop-2-enoic acid is C=CC(=O)O.Oc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;phenol;prop-2-enoic acid?
The InChIKey is UGHADNKFNZNJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C6H6.C3H4O2/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-3(4)5/h1-5,7H;1-6H;2H,1H2,(H,4,5).
What are the key properties of benzene;phenol;prop-2-enoic acid?
benzene;phenol;prop-2-enoic acid has a molecular weight of 244.29 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;phenol;prop-2-enoic acid is sourced from PubChem (CID 174875932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).