[1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate

C18H16N2O3 — CID 118071973

IUPAC[1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate
SMILESC/C=C/c1c(OC(N)=O)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C18H16N2O3/c1-2-5-16-17(23-18(19)22)14-6-3-4-7-15(14)20(16)12-8-10-13(21)11-9-12/h2-11,21H,1H3,(H2,19,22)/b5-2+
InChIKeyJNLZJQJVNZLYKG-GORDUTHDSA-N
MW308.34 g/mol
LogP3.83
Rot. Bonds3

About [1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate

[1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate (PubChem CID 118071973) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate
PubChem CID118071973
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate
SMILESC/C=C/c1c(OC(N)=O)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C18H16N2O3/c1-2-5-16-17(23-18(19)22)14-6-3-4-7-15(14)20(16)12-8-10-13(21)11-9-12/h2-11,21H,1H3,(H2,19,22)/b5-2+
InChIKeyJNLZJQJVNZLYKG-GORDUTHDSA-N
XLogP3.83
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate?
The IUPAC name of [1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate (CID 118071973) is [1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate.
What is the SMILES notation for [1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate?
The canonical SMILES for [1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate is C/C=C/c1c(OC(N)=O)c2ccccc2n1-c1ccc(O)cc1.
What is the InChIKey of [1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate?
The InChIKey is JNLZJQJVNZLYKG-GORDUTHDSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-5-16-17(23-18(19)22)14-6-3-4-7-15(14)20(16)12-8-10-13(21)11-9-12/h2-11,21H,1H3,(H2,19,22)/b5-2+.
What are the key properties of [1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate?
[1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate has a molecular weight of 308.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate is sourced from PubChem (CID 118071973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).