(4-chloro-1H-indol-3-yl)-phenylmethanone

C15H10ClNO — CID 12030231

IUPAC(4-chloro-1H-indol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C15H10ClNO/c16-12-7-4-8-13-14(12)11(9-17-13)15(18)10-5-2-1-3-6-10/h1-9,17H
InChIKeyCFPVCHCJLAPHEB-UHFFFAOYSA-N
MW255.70 g/mol
LogP4.05
Rot. Bonds2

About (4-chloro-1H-indol-3-yl)-phenylmethanone

(4-chloro-1H-indol-3-yl)-phenylmethanone (PubChem CID 12030231) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is (4-chloro-1H-indol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-chloro-1H-indol-3-yl)-phenylmethanone
PubChem CID12030231
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name(4-chloro-1H-indol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C15H10ClNO/c16-12-7-4-8-13-14(12)11(9-17-13)15(18)10-5-2-1-3-6-10/h1-9,17H
InChIKeyCFPVCHCJLAPHEB-UHFFFAOYSA-N
XLogP4.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 107998363
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 145106752
(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 102707056
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
CID 103427836
(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882290

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indol-3-yl)-phenylmethanone?
The IUPAC name of (4-chloro-1H-indol-3-yl)-phenylmethanone (CID 12030231) is (4-chloro-1H-indol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-chloro-1H-indol-3-yl)-phenylmethanone?
The canonical SMILES for (4-chloro-1H-indol-3-yl)-phenylmethanone is O=C(c1ccccc1)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of (4-chloro-1H-indol-3-yl)-phenylmethanone?
The InChIKey is CFPVCHCJLAPHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-12-7-4-8-13-14(12)11(9-17-13)15(18)10-5-2-1-3-6-10/h1-9,17H.
What are the key properties of (4-chloro-1H-indol-3-yl)-phenylmethanone?
(4-chloro-1H-indol-3-yl)-phenylmethanone has a molecular weight of 255.70 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indol-3-yl)-phenylmethanone is sourced from PubChem (CID 12030231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).