benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate

C18H19NO4 — CID 169471444

IUPACbenzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(O)c(CO)c1)OCc1ccccc1
InChIInChI=1S/C18H19NO4/c20-12-16-11-14(8-9-17(16)21)7-4-10-19-18(22)23-13-15-5-2-1-3-6-15/h1-9,11,20-21H,10,12-13H2,(H,19,22)
InChIKeyXGSUCTKORSKAEW-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.82
Rot. Bonds6

About benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate

benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169471444) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169471444
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namebenzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(O)c(CO)c1)OCc1ccccc1
InChIInChI=1S/C18H19NO4/c20-12-16-11-14(8-9-17(16)21)7-4-10-19-18(22)23-13-15-5-2-1-3-6-15/h1-9,11,20-21H,10,12-13H2,(H,19,22)
InChIKeyXGSUCTKORSKAEW-UHFFFAOYSA-N
XLogP2.82
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate
CID 169471883
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169471696
benzyl N-[3-(4-hydroxy-3-nitrophenyl)prop-2-enyl]carbamate
CID 169472087
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]naphthalene-2-carboxylic acid
CID 169472555
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
benzyl N-[3-[4-fluoro-2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471475
benzyl N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]carbamate
CID 169472370

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (CID 169471444) is benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(O)c(CO)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is XGSUCTKORSKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-12-16-11-14(8-9-17(16)21)7-4-10-19-18(22)23-13-15-5-2-1-3-6-15/h1-9,11,20-21H,10,12-13H2,(H,19,22).
What are the key properties of benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 313.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169471444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).