(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone

C21H16O4 — CID 5337702

IUPAC(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)oc3c2cc(O)c2ccccc23)cc1
InChIInChI=1S/C21H16O4/c1-12-19(20(23)13-7-9-14(24-2)10-8-13)17-11-18(22)15-5-3-4-6-16(15)21(17)25-12/h3-11,22H,1-2H3
InChIKeyZENJMNKWZQEHOS-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.84
Rot. Bonds3

About (5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone

(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 5337702) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID5337702
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)oc3c2cc(O)c2ccccc23)cc1
InChIInChI=1S/C21H16O4/c1-12-19(20(23)13-7-9-14(24-2)10-8-13)17-11-18(22)15-5-3-4-6-16(15)21(17)25-12/h3-11,22H,1-2H3
InChIKeyZENJMNKWZQEHOS-UHFFFAOYSA-N
XLogP4.84
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 678599
(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 877207
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 869250
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
(3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone
CID 169324752
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one
CID 102502970

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 5337702) is (5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(C)oc3c2cc(O)c2ccccc23)cc1.
What is the InChIKey of (5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is ZENJMNKWZQEHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-12-19(20(23)13-7-9-14(24-2)10-8-13)17-11-18(22)15-5-3-4-6-16(15)21(17)25-12/h3-11,22H,1-2H3.
What are the key properties of (5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 332.36 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 5337702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).