(2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone

C19H18O3 — CID 96670

IUPAC(2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
SMILESCCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O
InChIInChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
InChIKeyZHGKQUXXASLVQQ-UHFFFAOYSA-N
MW294.30 g/mol
LogP5.20
Rot. Bonds5

About (2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone

(2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone (PubChem CID 96670) has the molecular formula C19H18O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is (2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone
PubChem CID96670
Molecular FormulaC19H18O3
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Name(2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
SMILESCCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O
InChIInChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
InChIKeyZHGKQUXXASLVQQ-UHFFFAOYSA-N
XLogP5.20
TPSA50.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity373

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.30
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzbromarone
CID 2333
Amiodarone
CID 2157
Coumestrol
CID 5281707
Benziodarone
CID 6237
Benzarone
CID 255968
Psoralidin
CID 5281806
Glycyrol
CID 5320083
7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-5-ol
CID 641378
Moracin M
CID 185848
Moracin C
CID 155248
Moracin N
CID 641376
Bnc-105
CID 24786555

Frequently Asked Questions

What is the IUPAC name of (2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone?
The IUPAC name of (2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone (CID 96670) is (2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone?
The canonical SMILES for (2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone is CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O.
What is the InChIKey of (2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone?
The InChIKey is ZHGKQUXXASLVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3.
What are the key properties of (2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone?
(2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone has a molecular weight of 294.30 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone is sourced from PubChem (CID 96670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).