4-(9H-carbazol-3-ylamino)phenol

C18H14N2O — CID 6852

IUPAC4-(9H-carbazol-3-ylamino)phenol
SMILESOc1ccc(Nc2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C18H14N2O/c21-14-8-5-12(6-9-14)19-13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11,19-21H
InChIKeySTRAHSCTRLRZNU-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.77
Rot. Bonds2

About 4-(9H-carbazol-3-ylamino)phenol

4-(9H-carbazol-3-ylamino)phenol (PubChem CID 6852) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(9H-carbazol-3-ylamino)phenol.

Molecular Properties

Compound Name4-(9H-carbazol-3-ylamino)phenol
PubChem CID6852
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-(9H-carbazol-3-ylamino)phenol
SMILESOc1ccc(Nc2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C18H14N2O/c21-14-8-5-12(6-9-14)19-13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11,19-21H
InChIKeySTRAHSCTRLRZNU-UHFFFAOYSA-N
XLogP4.77
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-carbazol-3-ylamino)phenol?
The IUPAC name of 4-(9H-carbazol-3-ylamino)phenol (CID 6852) is 4-(9H-carbazol-3-ylamino)phenol.
What is the SMILES notation for 4-(9H-carbazol-3-ylamino)phenol?
The canonical SMILES for 4-(9H-carbazol-3-ylamino)phenol is Oc1ccc(Nc2ccc3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of 4-(9H-carbazol-3-ylamino)phenol?
The InChIKey is STRAHSCTRLRZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-14-8-5-12(6-9-14)19-13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11,19-21H.
What are the key properties of 4-(9H-carbazol-3-ylamino)phenol?
4-(9H-carbazol-3-ylamino)phenol has a molecular weight of 274.32 g/mol, XLogP of 4.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-carbazol-3-ylamino)phenol is sourced from PubChem (CID 6852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).