1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one

C18H18O3 — CID 162998919

IUPAC1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(c1)C(C)C(c1ccc(O)cc1)O2
InChIInChI=1S/C18H18O3/c1-11(19)9-13-3-8-17-16(10-13)12(2)18(21-17)14-4-6-15(20)7-5-14/h3-8,10,12,18,20H,9H2,1-2H3
InChIKeyVFEQCHGCUCZFKX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.76
Rot. Bonds3

About 1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one

1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one (PubChem CID 162998919) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one
PubChem CID162998919
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(c1)C(C)C(c1ccc(O)cc1)O2
InChIInChI=1S/C18H18O3/c1-11(19)9-13-3-8-17-16(10-13)12(2)18(21-17)14-4-6-15(20)7-5-14/h3-8,10,12,18,20H,9H2,1-2H3
InChIKeyVFEQCHGCUCZFKX-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxyphenyl)propan-2-one
CID 7019274
(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 101248074
(E)-4-[(2R,3R)-3-acetyl-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]but-3-en-2-one
CID 102581346
2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
CID 10777318
4-[(2S,3R)-3-(hydroxymethyl)-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162896019
4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 142244951
4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol
CID 102321408
3-[(2S,3R)-3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
CID 163032580
4-[3-(3,4-dimethoxyphenyl)-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 122372525
1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one
CID 141057255
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
(2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol
CID 101248077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one?
The IUPAC name of 1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one (CID 162998919) is 1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one is CC(=O)Cc1ccc2c(c1)C(C)C(c1ccc(O)cc1)O2.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one?
The InChIKey is VFEQCHGCUCZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-11(19)9-13-3-8-17-16(10-13)12(2)18(21-17)14-4-6-15(20)7-5-14/h3-8,10,12,18,20H,9H2,1-2H3.
What are the key properties of 1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one?
1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one is sourced from PubChem (CID 162998919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).