[4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate

C20H23NO3 — CID 71699784

IUPAC[4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1ccc(CO)c(-c2ccccc2)c1
InChIInChI=1S/C20H23NO3/c22-14-16-11-12-18(13-19(16)15-7-3-1-4-8-15)24-20(23)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17,22H,2,5-6,9-10,14H2,(H,21,23)
InChIKeyQECZDSOIIYBWIX-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.27
Rot. Bonds4

About [4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate

[4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate (PubChem CID 71699784) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate
PubChem CID71699784
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1ccc(CO)c(-c2ccccc2)c1
InChIInChI=1S/C20H23NO3/c22-14-16-11-12-18(13-19(16)15-7-3-1-4-8-15)24-20(23)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17,22H,2,5-6,9-10,14H2,(H,21,23)
InChIKeyQECZDSOIIYBWIX-UHFFFAOYSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate?
The IUPAC name of [4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate (CID 71699784) is [4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate?
The canonical SMILES for [4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1ccc(CO)c(-c2ccccc2)c1.
What is the InChIKey of [4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate?
The InChIKey is QECZDSOIIYBWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-14-16-11-12-18(13-19(16)15-7-3-1-4-8-15)24-20(23)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17,22H,2,5-6,9-10,14H2,(H,21,23).
What are the key properties of [4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate?
[4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate has a molecular weight of 325.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-3-phenylphenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 71699784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).