4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol

C18H18N2O — CID 70964728

IUPAC4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol
SMILESCC/C=C\c1c(N)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C18H18N2O/c1-2-3-7-17-18(19)15-6-4-5-8-16(15)20(17)13-9-11-14(21)12-10-13/h3-12,21H,2,19H2,1H3/b7-3-
InChIKeyLLSGHZJTKPZJCP-CLTKARDFSA-N
MW278.36 g/mol
LogP4.34
Rot. Bonds3

About 4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol

4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol (PubChem CID 70964728) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol.

Molecular Properties

Compound Name4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol
PubChem CID70964728
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol
SMILESCC/C=C\c1c(N)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C18H18N2O/c1-2-3-7-17-18(19)15-6-4-5-8-16(15)20(17)13-9-11-14(21)12-10-13/h3-12,21H,2,19H2,1H3/b7-3-
InChIKeyLLSGHZJTKPZJCP-CLTKARDFSA-N
XLogP4.34
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile
CID 58378218
[1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate
CID 118071973
[4-[3-[2-[(Z)-but-1-enyl]-3-methyl-1-phenylindol-5-yl]carbazol-9-yl]phenyl]boronic acid
CID 145267724
4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol
CID 70964746
1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
CID 87772568
2-[(Z)-but-1-enyl]-5-(2-methylphenyl)-1-[3-[8-(2-methylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine
CID 163823835
4-[2-(1-ethylpyrrol-2-yl)-3-(hydroxyiminomethyl)indol-1-yl]phenol
CID 173065292
N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167139489
1-(4-hydroxyphenyl)-2-prop-1-ynylindole-3-carboxylic acid
CID 142763531
2-propyl-1-pyridin-4-ylindol-3-amine
CID 57168860
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
3-[(E)-but-1-enyl]-1-phenylindole
CID 10857799

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol?
The IUPAC name of 4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol (CID 70964728) is 4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol.
What is the SMILES notation for 4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol?
The canonical SMILES for 4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol is CC/C=C\c1c(N)c2ccccc2n1-c1ccc(O)cc1.
What is the InChIKey of 4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol?
The InChIKey is LLSGHZJTKPZJCP-CLTKARDFSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-3-7-17-18(19)15-6-4-5-8-16(15)20(17)13-9-11-14(21)12-10-13/h3-12,21H,2,19H2,1H3/b7-3-.
What are the key properties of 4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol?
4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol has a molecular weight of 278.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-[(Z)-but-1-enyl]indol-1-yl]phenol is sourced from PubChem (CID 70964728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).