3-butylidene-7-phenylmethoxy-2-benzofuran-1-one

C19H18O3 — CID 71377902

IUPAC3-butylidene-7-phenylmethoxy-2-benzofuran-1-one
SMILESCCCC=C1OC(=O)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C19H18O3/c1-2-3-11-16-15-10-7-12-17(18(15)19(20)22-16)21-13-14-8-5-4-6-9-14/h4-12H,2-3,13H2,1H3
InChIKeyDLXWHFSLROSSMZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.58
Rot. Bonds5

About 3-butylidene-7-phenylmethoxy-2-benzofuran-1-one

3-butylidene-7-phenylmethoxy-2-benzofuran-1-one (PubChem CID 71377902) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-butylidene-7-phenylmethoxy-2-benzofuran-1-one.

Molecular Properties

Compound Name3-butylidene-7-phenylmethoxy-2-benzofuran-1-one
PubChem CID71377902
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name3-butylidene-7-phenylmethoxy-2-benzofuran-1-one
SMILESCCCC=C1OC(=O)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C19H18O3/c1-2-3-11-16-15-10-7-12-17(18(15)19(20)22-16)21-13-14-8-5-4-6-9-14/h4-12H,2-3,13H2,1H3
InChIKeyDLXWHFSLROSSMZ-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919
(3S)-3-butyl-7-phenylmethoxy-3H-2-benzofuran-1-one
CID 71377904
2-(2-aminophenyl)-3-phenylmethoxyaniline
CID 68789108
(3Z)-3-(2-hydroxyethylidene)-1-oxo-6,7-bis(phenylmethoxy)-2-benzofuran-5-carboxylic acid
CID 12068909
4-phenylmethoxyinden-1-one
CID 11356800
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
bis(1-acetyl-5-hydroxyanthracene-9,10-dione);1-acetyl-5-phenylmethoxyanthracene-9,10-dione
CID 160936105
1-[(E)-hex-2-enoxy]anthracene-9,10-dione
CID 15716447
1-iodo-3-phenylmethoxy-2-propoxybenzene
CID 70139895
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995

Frequently Asked Questions

What is the IUPAC name of 3-butylidene-7-phenylmethoxy-2-benzofuran-1-one?
The IUPAC name of 3-butylidene-7-phenylmethoxy-2-benzofuran-1-one (CID 71377902) is 3-butylidene-7-phenylmethoxy-2-benzofuran-1-one.
What is the SMILES notation for 3-butylidene-7-phenylmethoxy-2-benzofuran-1-one?
The canonical SMILES for 3-butylidene-7-phenylmethoxy-2-benzofuran-1-one is CCCC=C1OC(=O)c2c(OCc3ccccc3)cccc21.
What is the InChIKey of 3-butylidene-7-phenylmethoxy-2-benzofuran-1-one?
The InChIKey is DLXWHFSLROSSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-2-3-11-16-15-10-7-12-17(18(15)19(20)22-16)21-13-14-8-5-4-6-9-14/h4-12H,2-3,13H2,1H3.
What are the key properties of 3-butylidene-7-phenylmethoxy-2-benzofuran-1-one?
3-butylidene-7-phenylmethoxy-2-benzofuran-1-one has a molecular weight of 294.35 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylidene-7-phenylmethoxy-2-benzofuran-1-one is sourced from PubChem (CID 71377902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).