1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol

C21H16ClNO2 — CID 71725275

IUPAC1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol
SMILESCOc1ccc(-c2cc3c(O)cccc3n2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H16ClNO2/c1-25-17-10-8-14(9-11-17)20-13-18-19(6-3-7-21(18)24)23(20)16-5-2-4-15(22)12-16/h2-13,24H,1H3
InChIKeyXMKCJTQMJIRBHY-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.67
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol

1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol (PubChem CID 71725275) has the molecular formula C21H16ClNO2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol
PubChem CID71725275
Molecular FormulaC21H16ClNO2
Molecular Weight349.82 g/mol
Exact Mass349.09
IUPAC Name1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol
SMILESCOc1ccc(-c2cc3c(O)cccc3n2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H16ClNO2/c1-25-17-10-8-14(9-11-17)20-13-18-19(6-3-7-21(18)24)23(20)16-5-2-4-15(22)12-16/h2-13,24H,1H3
InChIKeyXMKCJTQMJIRBHY-UHFFFAOYSA-N
XLogP5.67
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(3-methoxyphenyl)indol-4-ol
CID 71725343
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
(Z)-1-[1-(3-chlorophenyl)-5-(4-fluorophenyl)-2-methylpyrrol-3-yl]-N-[(4-methoxyphenyl)methoxy]ethanimine
CID 42796614
3-[2-[4-(trifluoromethoxy)phenyl]benzo[e]indol-3-yl]benzoic acid
CID 59214608
1-(3-chlorophenyl)-5-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94939920
2-(3-chlorophenyl)-1-phenylquinolin-4-one
CID 102171684
[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244626
3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one
CID 123175085
3-(3-chlorophenyl)-7-methoxy-4-sulfanylidene-1,3-benzoxazin-2-one
CID 102213228
2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 134116210
4-(4-methoxyphenyl)-1-phenylquinolin-2-one
CID 166443023
3-[2-(4-methoxy-2-methylphenyl)benzo[e]indol-3-yl]benzoic acid
CID 59214606

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol (CID 71725275) is 1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol is COc1ccc(-c2cc3c(O)cccc3n2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol?
The InChIKey is XMKCJTQMJIRBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO2/c1-25-17-10-8-14(9-11-17)20-13-18-19(6-3-7-21(18)24)23(20)16-5-2-4-15(22)12-16/h2-13,24H,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol?
1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol has a molecular weight of 349.82 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol is sourced from PubChem (CID 71725275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).