ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one

C17H19NO2 — CID 91072000

IUPACethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one
SMILESCC.O=C1NCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C15H13NO2.C2H6/c17-15-14-8-13(7-6-12(14)9-16-15)18-10-11-4-2-1-3-5-11;1-2/h1-8H,9-10H2,(H,16,17);1-2H3
InChIKeyHEADJFRKXQBARL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.54
Rot. Bonds3

About ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one

ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one (PubChem CID 91072000) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Nameethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one
PubChem CID91072000
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one
SMILESCC.O=C1NCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C15H13NO2.C2H6/c17-15-14-8-13(7-6-12(14)9-16-15)18-10-11-4-2-1-3-5-11;1-2/h1-8H,9-10H2,(H,16,17);1-2H3
InChIKeyHEADJFRKXQBARL-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline
CID 145043071
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
6-tribenzylstannyl-2,3-dihydroisoindol-1-one
CID 57367188
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene;4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 160808164
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 58380051
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
6-[[4-(4-methoxyphenyl)-2-methyl-1-(2-phenylethyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one
CID 175703033
(5S)-3-methyl-5-(6-phenylmethoxy-3H-inden-1-yl)-1,3-diazinane-2,4-dione
CID 155619112
ethane;4-phenylmethoxyphthalic acid
CID 90802135
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582
1-methyl-5-phenylmethoxy-2H-indol-3-one
CID 155591084

Frequently Asked Questions

What is the IUPAC name of ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one?
The IUPAC name of ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one (CID 91072000) is ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one is CC.O=C1NCc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one?
The InChIKey is HEADJFRKXQBARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2.C2H6/c17-15-14-8-13(7-6-12(14)9-16-15)18-10-11-4-2-1-3-5-11;1-2/h1-8H,9-10H2,(H,16,17);1-2H3.
What are the key properties of ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one?
ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 91072000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).