(5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone

C24H19ClO4 — CID 139223403

IUPAC(5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(O)c(C(=O)c2cccc3c2CCCC3)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C24H19ClO4/c25-16-9-11-22(27)20(13-16)23(28)15-8-10-21(26)19(12-15)24(29)18-7-3-5-14-4-1-2-6-17(14)18/h3,5,7-13,26-27H,1-2,4,6H2
InChIKeySEJRRFDKUSHEBA-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.09
Rot. Bonds4

About (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone

(5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone (PubChem CID 139223403) has the molecular formula C24H19ClO4 and a molecular weight of 406.87 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone
PubChem CID139223403
Molecular FormulaC24H19ClO4
Molecular Weight406.87 g/mol
Exact Mass406.10
IUPAC Name(5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(O)c(C(=O)c2cccc3c2CCCC3)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C24H19ClO4/c25-16-9-11-22(27)20(13-16)23(28)15-8-10-21(26)19(12-15)24(29)18-7-3-5-14-4-1-2-6-17(14)18/h3,5,7-13,26-27H,1-2,4,6H2
InChIKeySEJRRFDKUSHEBA-UHFFFAOYSA-N
XLogP5.09
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone
CID 139223402
(5-chloro-2-hydroxyphenyl)-(2-methylphenyl)methanone
CID 21463072
(5-chloro-2-hydroxyphenyl)-(3,5-dichlorophenyl)methanone
CID 58962676
2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid
CID 154572941
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
(5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone
CID 58962464
[5-(5-chloro-2-hydroxybenzoyl)-2-morpholin-4-ylphenyl]-phenylmethanone
CID 132537191
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
[3-[3-(3,4-dihydroxybenzoyl)-4-hydroxybenzoyl]-4-hydroxyphenyl]-(3,4-dihydroxyphenyl)methanone
CID 172840396
5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
CID 88741905
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone (CID 139223403) is (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone is O=C(c1ccc(O)c(C(=O)c2cccc3c2CCCC3)c1)c1cc(Cl)ccc1O.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone?
The InChIKey is SEJRRFDKUSHEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClO4/c25-16-9-11-22(27)20(13-16)23(28)15-8-10-21(26)19(12-15)24(29)18-7-3-5-14-4-1-2-6-17(14)18/h3,5,7-13,26-27H,1-2,4,6H2.
What are the key properties of (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone?
(5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone has a molecular weight of 406.87 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 139223403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).