4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride

C20H23ClN2O2 — CID 46888741

IUPAC4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride
SMILESCl.NC1CCc2[nH]c3ccc(OCCc4ccc(O)cc4)cc3c2C1
InChIInChI=1S/C20H22N2O2.ClH/c21-14-3-7-19-17(11-14)18-12-16(6-8-20(18)22-19)24-10-9-13-1-4-15(23)5-2-13;/h1-2,4-6,8,12,14,22-23H,3,7,9-11,21H2;1H
InChIKeyWMJSMAXEKISOHC-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.73
Rot. Bonds4

About 4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride

4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride (PubChem CID 46888741) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride
PubChem CID46888741
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride
SMILESCl.NC1CCc2[nH]c3ccc(OCCc4ccc(O)cc4)cc3c2C1
InChIInChI=1S/C20H22N2O2.ClH/c21-14-3-7-19-17(11-14)18-12-16(6-8-20(18)22-19)24-10-9-13-1-4-15(23)5-2-13;/h1-2,4-6,8,12,14,22-23H,3,7,9-11,21H2;1H
InChIKeyWMJSMAXEKISOHC-UHFFFAOYSA-N
XLogP3.73
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride?
The IUPAC name of 4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride (CID 46888741) is 4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride?
The canonical SMILES for 4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride is Cl.NC1CCc2[nH]c3ccc(OCCc4ccc(O)cc4)cc3c2C1.
What is the InChIKey of 4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride?
The InChIKey is WMJSMAXEKISOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/c21-14-3-7-19-17(11-14)18-12-16(6-8-20(18)22-19)24-10-9-13-1-4-15(23)5-2-13;/h1-2,4-6,8,12,14,22-23H,3,7,9-11,21H2;1H.
What are the key properties of 4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride?
4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)oxy]ethyl]phenol;hydrochloride is sourced from PubChem (CID 46888741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).