(7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

C16H11ClO4 — CID 66804747

IUPAC(7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3c(Cl)cc(O)cc23)cc1
InChIInChI=1S/C16H11ClO4/c1-20-11-4-2-9(3-5-11)15(19)13-8-21-16-12(13)6-10(18)7-14(16)17/h2-8,18H,1H3
InChIKeyPTUVZTJYNDCVIN-UHFFFAOYSA-N
MW302.71 g/mol
LogP4.03
Rot. Bonds3

About (7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

(7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 66804747) has the molecular formula C16H11ClO4 and a molecular weight of 302.71 g/mol. Its IUPAC name is (7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID66804747
Molecular FormulaC16H11ClO4
Molecular Weight302.71 g/mol
Exact Mass302.03
IUPAC Name(7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3c(Cl)cc(O)cc23)cc1
InChIInChI=1S/C16H11ClO4/c1-20-11-4-2-9(3-5-11)15(19)13-8-21-16-12(13)6-10(18)7-14(16)17/h2-8,18H,1H3
InChIKeyPTUVZTJYNDCVIN-UHFFFAOYSA-N
XLogP4.03
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962
(6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone
CID 1208158
2-[4-(6,7-dichloro-5-hydroxy-1-benzofuran-3-carbonyl)phenoxy]acetic acid
CID 66645276
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 518799
(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
CID 88743414
5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid
CID 13091184
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone
CID 14143073
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745

Frequently Asked Questions

What is the IUPAC name of (7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 66804747) is (7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2coc3c(Cl)cc(O)cc23)cc1.
What is the InChIKey of (7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is PTUVZTJYNDCVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO4/c1-20-11-4-2-9(3-5-11)15(19)13-8-21-16-12(13)6-10(18)7-14(16)17/h2-8,18H,1H3.
What are the key properties of (7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 302.71 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 66804747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).