phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone

C18H17NO2 — CID 80649114

IUPACphenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
SMILESCC(C)Oc1ccc2[nH]cc(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H17NO2/c1-12(2)21-14-8-9-17-15(10-14)16(11-19-17)18(20)13-6-4-3-5-7-13/h3-12,19H,1-2H3
InChIKeyNDPFCBRWXSPSOV-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.19
Rot. Bonds4

About phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone

phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone (PubChem CID 80649114) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Namephenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
PubChem CID80649114
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Namephenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
SMILESCC(C)Oc1ccc2[nH]cc(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H17NO2/c1-12(2)21-14-8-9-17-15(10-14)16(11-19-17)18(20)13-6-4-3-5-7-13/h3-12,19H,1-2H3
InChIKeyNDPFCBRWXSPSOV-UHFFFAOYSA-N
XLogP4.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-2-(5-propan-2-yloxy-1H-indol-3-yl)acetic acid
CID 80502669
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649113
(5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649231
(3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649119
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
ethyl 3-benzoyl-1H-indole-5-carboxylate
CID 10589798
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
(2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 107176640
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488

Frequently Asked Questions

What is the IUPAC name of phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The IUPAC name of phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone (CID 80649114) is phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone.
What is the SMILES notation for phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The canonical SMILES for phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone is CC(C)Oc1ccc2[nH]cc(C(=O)c3ccccc3)c2c1.
What is the InChIKey of phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The InChIKey is NDPFCBRWXSPSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12(2)21-14-8-9-17-15(10-14)16(11-19-17)18(20)13-6-4-3-5-7-13/h3-12,19H,1-2H3.
What are the key properties of phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 80649114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).