(5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone

C22H17NO3 — CID 44815289

IUPAC(5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone
SMILESCn1c(C(=O)c2ccc(Oc3ccccc3)cc2)cc2cc(O)ccc21
InChIInChI=1S/C22H17NO3/c1-23-20-12-9-17(24)13-16(20)14-21(23)22(25)15-7-10-19(11-8-15)26-18-5-3-2-4-6-18/h2-14,24H,1H3
InChIKeyPYUFUKRCAMGCJA-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.91
Rot. Bonds4

About (5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone

(5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone (PubChem CID 44815289) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is (5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone
PubChem CID44815289
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name(5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone
SMILESCn1c(C(=O)c2ccc(Oc3ccccc3)cc2)cc2cc(O)ccc21
InChIInChI=1S/C22H17NO3/c1-23-20-12-9-17(24)13-16(20)14-21(23)22(25)15-7-10-19(11-8-15)26-18-5-3-2-4-6-18/h2-14,24H,1H3
InChIKeyPYUFUKRCAMGCJA-UHFFFAOYSA-N
XLogP4.91
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(phenylmethoxy)-1H-indole-2-carboxylic acid
CID 81146
5-Methoxy-1-methyl-1H-indole-2-carboxylic acid
CID 647460
1-(5-Hydroxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone
CID 781247
Mrl24
CID 9958543
Iodoindomethacin
CID 447835
(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
CID 1372
1-Benzoyl-5-methoxy-2-methylindole-3-acetic acid
CID 4177957
3-acetyl-1-(4-ethoxyphenyl)-2-methyl-1H-indol-5-yl acetate
CID 1150669
Cinmetacin
CID 6433761
D-64131
CID 3921152
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 29
CID 6539944
5-(4-Tert-Butylphenyl)-1-[4-(Propan-2-Yloxy)phenyl]-1h-Indole-2-Carboxylic Acid
CID 11510178

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone (CID 44815289) is (5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone is Cn1c(C(=O)c2ccc(Oc3ccccc3)cc2)cc2cc(O)ccc21.
What is the InChIKey of (5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone?
The InChIKey is PYUFUKRCAMGCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-23-20-12-9-17(24)13-16(20)14-21(23)22(25)15-7-10-19(11-8-15)26-18-5-3-2-4-6-18/h2-14,24H,1H3.
What are the key properties of (5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone?
(5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone has a molecular weight of 343.38 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1-methylindol-2-yl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 44815289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).