(4-hydroxyphenyl)methyl-propylcarbamic acid

C11H15NO3 — CID 69013096

IUPAC(4-hydroxyphenyl)methyl-propylcarbamic acid
SMILESCCCN(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-7-12(11(14)15)8-9-3-5-10(13)6-4-9/h3-6,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyCXNYJCVCFSCYDF-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.28
Rot. Bonds4

About (4-hydroxyphenyl)methyl-propylcarbamic acid

(4-hydroxyphenyl)methyl-propylcarbamic acid (PubChem CID 69013096) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (4-hydroxyphenyl)methyl-propylcarbamic acid.

Molecular Properties

Compound Name(4-hydroxyphenyl)methyl-propylcarbamic acid
PubChem CID69013096
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(4-hydroxyphenyl)methyl-propylcarbamic acid
SMILESCCCN(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-7-12(11(14)15)8-9-3-5-10(13)6-4-9/h3-6,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyCXNYJCVCFSCYDF-UHFFFAOYSA-N
XLogP2.28
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
N-ethyl-N-[(4-hydroxyphenyl)methyl]acetamide
CID 20594014
(3-anilinophenyl)methyl-propylcarbamic acid
CID 67551661
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
(E)-4-[(4-fluorophenyl)methyl-propylamino]-4-oxobut-2-enoic acid
CID 39364476
2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
CID 23422378
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)methyl-propylcarbamic acid?
The IUPAC name of (4-hydroxyphenyl)methyl-propylcarbamic acid (CID 69013096) is (4-hydroxyphenyl)methyl-propylcarbamic acid.
What is the SMILES notation for (4-hydroxyphenyl)methyl-propylcarbamic acid?
The canonical SMILES for (4-hydroxyphenyl)methyl-propylcarbamic acid is CCCN(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (4-hydroxyphenyl)methyl-propylcarbamic acid?
The InChIKey is CXNYJCVCFSCYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-7-12(11(14)15)8-9-3-5-10(13)6-4-9/h3-6,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of (4-hydroxyphenyl)methyl-propylcarbamic acid?
(4-hydroxyphenyl)methyl-propylcarbamic acid has a molecular weight of 209.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)methyl-propylcarbamic acid is sourced from PubChem (CID 69013096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).