4-phenylmethoxyinden-1-one

C16H12O2 — CID 11356800

IUPAC4-phenylmethoxyinden-1-one
SMILESO=C1C=Cc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C16H12O2/c17-15-10-9-14-13(15)7-4-8-16(14)18-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyJDCGHHFCOCDRNT-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.48
Rot. Bonds3

About 4-phenylmethoxyinden-1-one

4-phenylmethoxyinden-1-one (PubChem CID 11356800) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-phenylmethoxyinden-1-one.

Molecular Properties

Compound Name4-phenylmethoxyinden-1-one
PubChem CID11356800
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name4-phenylmethoxyinden-1-one
SMILESO=C1C=Cc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C16H12O2/c17-15-10-9-14-13(15)7-4-8-16(14)18-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyJDCGHHFCOCDRNT-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-phenylmethoxybenzene-1,2-diamine;hydrochloride
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2-(2-aminophenyl)-3-phenylmethoxyaniline
CID 68789108
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CID 22382137
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2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one
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2-(4-aminophenyl)-6-phenylmethoxyaniline
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2,3-diisocyano-1,4-bis(2-phenylmethoxyphenyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxyinden-1-one?
The IUPAC name of 4-phenylmethoxyinden-1-one (CID 11356800) is 4-phenylmethoxyinden-1-one.
What is the SMILES notation for 4-phenylmethoxyinden-1-one?
The canonical SMILES for 4-phenylmethoxyinden-1-one is O=C1C=Cc2c(OCc3ccccc3)cccc21.
What is the InChIKey of 4-phenylmethoxyinden-1-one?
The InChIKey is JDCGHHFCOCDRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c17-15-10-9-14-13(15)7-4-8-16(14)18-11-12-5-2-1-3-6-12/h1-10H,11H2.
What are the key properties of 4-phenylmethoxyinden-1-one?
4-phenylmethoxyinden-1-one has a molecular weight of 236.27 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxyinden-1-one is sourced from PubChem (CID 11356800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).