benzyl-(3-hydroxyphenyl)carbamic acid

C14H13NO3 — CID 71093078

IUPACbenzyl-(3-hydroxyphenyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C14H13NO3/c16-13-8-4-7-12(9-13)15(14(17)18)10-11-5-2-1-3-6-11/h1-9,16H,10H2,(H,17,18)
InChIKeyXBBOLWXDRODMIX-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.08
Rot. Bonds3

About benzyl-(3-hydroxyphenyl)carbamic acid

benzyl-(3-hydroxyphenyl)carbamic acid (PubChem CID 71093078) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is benzyl-(3-hydroxyphenyl)carbamic acid.

Molecular Properties

Compound Namebenzyl-(3-hydroxyphenyl)carbamic acid
PubChem CID71093078
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namebenzyl-(3-hydroxyphenyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C14H13NO3/c16-13-8-4-7-12(9-13)15(14(17)18)10-11-5-2-1-3-6-11/h1-9,16H,10H2,(H,17,18)
InChIKeyXBBOLWXDRODMIX-UHFFFAOYSA-N
XLogP3.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
3-(N-benzyl-3-hydroxyanilino)phenol
CID 86210696
(3-hydroxyphenyl)-prop-2-enylcarbamic acid
CID 70559245
(4-aminophenyl)-benzylcarbamic acid
CID 69046621
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
CID 107736702
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
benzyl-[3-(9-oxononoxy)phenyl]carbamic acid
CID 89266873
pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
CID 66996492
benzyl-(2-fluorophenyl)carbamic acid
CID 67213416

Frequently Asked Questions

What is the IUPAC name of benzyl-(3-hydroxyphenyl)carbamic acid?
The IUPAC name of benzyl-(3-hydroxyphenyl)carbamic acid (CID 71093078) is benzyl-(3-hydroxyphenyl)carbamic acid.
What is the SMILES notation for benzyl-(3-hydroxyphenyl)carbamic acid?
The canonical SMILES for benzyl-(3-hydroxyphenyl)carbamic acid is O=C(O)N(Cc1ccccc1)c1cccc(O)c1.
What is the InChIKey of benzyl-(3-hydroxyphenyl)carbamic acid?
The InChIKey is XBBOLWXDRODMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-13-8-4-7-12(9-13)15(14(17)18)10-11-5-2-1-3-6-11/h1-9,16H,10H2,(H,17,18).
What are the key properties of benzyl-(3-hydroxyphenyl)carbamic acid?
benzyl-(3-hydroxyphenyl)carbamic acid has a molecular weight of 243.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(3-hydroxyphenyl)carbamic acid is sourced from PubChem (CID 71093078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).