4-(2-aminoprop-2-enyl)phenol;carbonic acid

C10H13NO4 — CID 158851238

IUPAC4-(2-aminoprop-2-enyl)phenol;carbonic acid
SMILESC=C(N)Cc1ccc(O)cc1.O=C(O)O
InChIInChI=1S/C9H11NO.CH2O3/c1-7(10)6-8-2-4-9(11)5-3-8;2-1(3)4/h2-5,11H,1,6,10H2;(H2,2,3,4)
InChIKeyIZLYRFKJZGRETO-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.63
Rot. Bonds2

About 4-(2-aminoprop-2-enyl)phenol;carbonic acid

4-(2-aminoprop-2-enyl)phenol;carbonic acid (PubChem CID 158851238) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(2-aminoprop-2-enyl)phenol;carbonic acid.

Molecular Properties

Compound Name4-(2-aminoprop-2-enyl)phenol;carbonic acid
PubChem CID158851238
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-(2-aminoprop-2-enyl)phenol;carbonic acid
SMILESC=C(N)Cc1ccc(O)cc1.O=C(O)O
InChIInChI=1S/C9H11NO.CH2O3/c1-7(10)6-8-2-4-9(11)5-3-8;2-1(3)4/h2-5,11H,1,6,10H2;(H2,2,3,4)
InChIKeyIZLYRFKJZGRETO-UHFFFAOYSA-N
XLogP1.63
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoprop-2-enyl)phenol
CID 20758770
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
4-(4-hydroxyphenyl)-3-oxobutanoic acid
CID 91396936
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
benzene-1,4-diol;carbamic acid
CID 158152403
2-(4-hydroxyphenyl)acetamide;sulfuric acid
CID 155147372
bis(benzene-1,4-diol);carbonic acid
CID 68999082
benzene;3-(4-hydroxyphenyl)-2-oxopropanoic acid
CID 175418924
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
sodium 2-(4-hydroxyphenyl)acetate
CID 23664575
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
pentakis(4-(2-hydroxyprop-2-enyl)phenol);4-(2-(18O)oxidanylprop-2-enyl)(18O)phenol
CID 161269415

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoprop-2-enyl)phenol;carbonic acid?
The IUPAC name of 4-(2-aminoprop-2-enyl)phenol;carbonic acid (CID 158851238) is 4-(2-aminoprop-2-enyl)phenol;carbonic acid.
What is the SMILES notation for 4-(2-aminoprop-2-enyl)phenol;carbonic acid?
The canonical SMILES for 4-(2-aminoprop-2-enyl)phenol;carbonic acid is C=C(N)Cc1ccc(O)cc1.O=C(O)O.
What is the InChIKey of 4-(2-aminoprop-2-enyl)phenol;carbonic acid?
The InChIKey is IZLYRFKJZGRETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.CH2O3/c1-7(10)6-8-2-4-9(11)5-3-8;2-1(3)4/h2-5,11H,1,6,10H2;(H2,2,3,4).
What are the key properties of 4-(2-aminoprop-2-enyl)phenol;carbonic acid?
4-(2-aminoprop-2-enyl)phenol;carbonic acid has a molecular weight of 211.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoprop-2-enyl)phenol;carbonic acid is sourced from PubChem (CID 158851238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).