4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one

C16H14O4 — CID 163961951

IUPAC4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one
SMILESCc1c(OCc2ccccc2)cc2c(c1O)COC2=O
InChIInChI=1S/C16H14O4/c1-10-14(19-8-11-5-3-2-4-6-11)7-12-13(15(10)17)9-20-16(12)18/h2-7,17H,8-9H2,1H3
InChIKeySIHAPODWIDTYFU-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.95
Rot. Bonds3

About 4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one

4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one (PubChem CID 163961951) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one
PubChem CID163961951
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one
SMILESCc1c(OCc2ccccc2)cc2c(c1O)COC2=O
InChIInChI=1S/C16H14O4/c1-10-14(19-8-11-5-3-2-4-6-11)7-12-13(15(10)17)9-20-16(12)18/h2-7,17H,8-9H2,1H3
InChIKeySIHAPODWIDTYFU-UHFFFAOYSA-N
XLogP2.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
2-(6-carboxy-2,3-dimethyl-4-phenylmethoxyphenyl)-3,4-dimethyl-5-phenylmethoxybenzoic acid;3,4,5,18,19,20-hexahydroxy-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione;3,4,19,20-tetramethyl-5,18-bis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione
CID 159183285
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
ethyl 3-[(2S,3S)-3-[(6-methoxy-1-oxo-4-phenylmethoxy-3H-2-benzofuran-5-yl)methyl]oxiran-2-yl]propanoate
CID 177491538
6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one
CID 86192191
(3-fluoro-4-methyl-5-phenylmethoxyphenyl)boronic acid
CID 163353611
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one
CID 10685346
3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane
CID 91419873
4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
CID 142720681
4-[(7-methoxy-6-methyl-3-oxo-1H-2-benzofuran-5-yl)oxy]-2-methylbut-2-enoic acid
CID 162866753
(11S,12S)-11,12-dimethoxy-3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione
CID 56927572

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one?
The IUPAC name of 4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one (CID 163961951) is 4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one is Cc1c(OCc2ccccc2)cc2c(c1O)COC2=O.
What is the InChIKey of 4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one?
The InChIKey is SIHAPODWIDTYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-10-14(19-8-11-5-3-2-4-6-11)7-12-13(15(10)17)9-20-16(12)18/h2-7,17H,8-9H2,1H3.
What are the key properties of 4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one?
4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one has a molecular weight of 270.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 163961951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).