4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol

C19H15ClN2O — CID 174644307

IUPAC4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol
SMILESCc1cc(-c2ccc(O)c(Cl)c2)cc2c1[nH]c1cc(N)ccc12
InChIInChI=1S/C19H15ClN2O/c1-10-6-12(11-2-5-18(23)16(20)8-11)7-15-14-4-3-13(21)9-17(14)22-19(10)15/h2-9,22-23H,21H2,1H3
InChIKeyYDGVOZOKZXWJOF-UHFFFAOYSA-N
MW322.80 g/mol
LogP5.24
Rot. Bonds1

About 4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol

4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol (PubChem CID 174644307) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol.

Molecular Properties

Compound Name4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol
PubChem CID174644307
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol
SMILESCc1cc(-c2ccc(O)c(Cl)c2)cc2c1[nH]c1cc(N)ccc12
InChIInChI=1S/C19H15ClN2O/c1-10-6-12(11-2-5-18(23)16(20)8-11)7-15-14-4-3-13(21)9-17(14)22-19(10)15/h2-9,22-23H,21H2,1H3
InChIKeyYDGVOZOKZXWJOF-UHFFFAOYSA-N
XLogP5.24
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.80
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4-chloro-3-methylphenyl)phenol
CID 53221359
3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide
CID 123332297
1-[7-amino-3-(3-methylphenyl)-9H-carbazol-1-yl]ethanone
CID 91566431
2-chloro-4-(4-methoxy-3-methylphenyl)phenol
CID 53221309
2-chloro-4-(3,4,5-trifluorophenyl)phenol
CID 83130414
4-(4-chloro-3-methylphenyl)-2-fluorophenol
CID 53219486
4-(4-aminophenyl)aniline;2-chlorophenol
CID 19386561
1-ethyl-9H-carbazole-2,7-diamine
CID 69231599
ethyl 7-amino-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14268640
4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol
CID 154672867
benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 158570472
4-amino-2-(4-methylphenyl)phenol
CID 22256169

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol?
The IUPAC name of 4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol (CID 174644307) is 4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol.
What is the SMILES notation for 4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol?
The canonical SMILES for 4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol is Cc1cc(-c2ccc(O)c(Cl)c2)cc2c1[nH]c1cc(N)ccc12.
What is the InChIKey of 4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol?
The InChIKey is YDGVOZOKZXWJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-10-6-12(11-2-5-18(23)16(20)8-11)7-15-14-4-3-13(21)9-17(14)22-19(10)15/h2-9,22-23H,21H2,1H3.
What are the key properties of 4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol?
4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol has a molecular weight of 322.80 g/mol, XLogP of 5.24, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-1-methyl-9H-carbazol-3-yl)-2-chlorophenol is sourced from PubChem (CID 174644307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).