(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone

C26H18O4 — CID 132522589

IUPAC(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone
SMILESCOc1cccc2oc3c(O)c(C(=O)c4ccccc4)cc(-c4ccccc4)c3c12
InChIInChI=1S/C26H18O4/c1-29-20-13-8-14-21-23(20)22-18(16-9-4-2-5-10-16)15-19(25(28)26(22)30-21)24(27)17-11-6-3-7-12-17/h2-15,28H,1H3
InChIKeyYSVMZEPEGKCYOU-UHFFFAOYSA-N
MW394.43 g/mol
LogP6.20
Rot. Bonds4

About (4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone

(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone (PubChem CID 132522589) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is (4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone
PubChem CID132522589
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone
SMILESCOc1cccc2oc3c(O)c(C(=O)c4ccccc4)cc(-c4ccccc4)c3c12
InChIInChI=1S/C26H18O4/c1-29-20-13-8-14-21-23(20)22-18(16-9-4-2-5-10-16)15-19(25(28)26(22)30-21)24(27)17-11-6-3-7-12-17/h2-15,28H,1H3
InChIKeyYSVMZEPEGKCYOU-UHFFFAOYSA-N
XLogP6.20
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one
CID 132522594
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907
1-methoxy-4-phenylnaphtho[2,3-b][1]benzofuran
CID 167077293
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
(4-acetyloxy-5-methoxy-2-oxochromen-3-yl) benzoate
CID 19929720
3-(2-methoxyphenyl)benzoic acid
CID 2759547
N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide
CID 3436300
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
5-fluoro-2-methoxy-4-phenylbenzoic acid
CID 170991634

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone?
The IUPAC name of (4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone (CID 132522589) is (4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone.
What is the SMILES notation for (4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone?
The canonical SMILES for (4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone is COc1cccc2oc3c(O)c(C(=O)c4ccccc4)cc(-c4ccccc4)c3c12.
What is the InChIKey of (4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone?
The InChIKey is YSVMZEPEGKCYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c1-29-20-13-8-14-21-23(20)22-18(16-9-4-2-5-10-16)15-19(25(28)26(22)30-21)24(27)17-11-6-3-7-12-17/h2-15,28H,1H3.
What are the key properties of (4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone?
(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone has a molecular weight of 394.43 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone is sourced from PubChem (CID 132522589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).