2-benzylphenol;prop-2-enoic acid

C16H16O3 — CID 69011009

IUPAC2-benzylphenol;prop-2-enoic acid
SMILESC=CC(=O)O.Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C13H12O.C3H4O2/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;1-2-3(4)5/h1-9,14H,10H2;2H,1H2,(H,4,5)
InChIKeyALYUAKAEEKXZAI-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.24
Rot. Bonds3

About 2-benzylphenol;prop-2-enoic acid

2-benzylphenol;prop-2-enoic acid (PubChem CID 69011009) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-benzylphenol;prop-2-enoic acid.

Molecular Properties

Compound Name2-benzylphenol;prop-2-enoic acid
PubChem CID69011009
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-benzylphenol;prop-2-enoic acid
SMILESC=CC(=O)O.Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C13H12O.C3H4O2/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;1-2-3(4)5/h1-9,14H,10H2;2H,1H2,(H,4,5)
InChIKeyALYUAKAEEKXZAI-UHFFFAOYSA-N
XLogP3.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.24
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

2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)
CID 159187448
lithium;2-benzylphenol;hydride
CID 174706000
2-benzylphenol;ethane
CID 91068983
benzyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132649
phenylmethanamine;prop-2-enoic acid;hydrochloride
CID 174938765
benzene;phenol;prop-2-enoic acid
CID 174875932
(E)-3-(2-benzylphenyl)prop-2-enoic acid
CID 22364524
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
phenol;bis(prop-2-enoic acid);hydrofluoride
CID 175753146
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
1-benzyl-2-(2-prop-2-enylphenyl)benzene
CID 173274137

Frequently Asked Questions

What is the IUPAC name of 2-benzylphenol;prop-2-enoic acid?
The IUPAC name of 2-benzylphenol;prop-2-enoic acid (CID 69011009) is 2-benzylphenol;prop-2-enoic acid.
What is the SMILES notation for 2-benzylphenol;prop-2-enoic acid?
The canonical SMILES for 2-benzylphenol;prop-2-enoic acid is C=CC(=O)O.Oc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzylphenol;prop-2-enoic acid?
The InChIKey is ALYUAKAEEKXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C3H4O2/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;1-2-3(4)5/h1-9,14H,10H2;2H,1H2,(H,4,5).
What are the key properties of 2-benzylphenol;prop-2-enoic acid?
2-benzylphenol;prop-2-enoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylphenol;prop-2-enoic acid is sourced from PubChem (CID 69011009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).