(4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone

C30H20O6 — CID 58626356

IUPAC(4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2ccc3ccccc3c2)c(O)c(O)c1O
InChIInChI=1S/C30H20O6/c31-26(19-12-14-23(15-13-19)36-22-8-2-1-3-9-22)24-17-25(29(34)30(35)28(24)33)27(32)21-11-10-18-6-4-5-7-20(18)16-21/h1-17,33-35H
InChIKeyPAYVUXNMYLDDFO-UHFFFAOYSA-N
MW476.48 g/mol
LogP6.21
Rot. Bonds6

About (4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone

(4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone (PubChem CID 58626356) has the molecular formula C30H20O6 and a molecular weight of 476.48 g/mol. Its IUPAC name is (4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone
PubChem CID58626356
Molecular FormulaC30H20O6
Molecular Weight476.48 g/mol
Exact Mass476.13
IUPAC Name(4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2ccc3ccccc3c2)c(O)c(O)c1O
InChIInChI=1S/C30H20O6/c31-26(19-12-14-23(15-13-19)36-22-8-2-1-3-9-22)24-17-25(29(34)30(35)28(24)33)27(32)21-11-10-18-6-4-5-7-20(18)16-21/h1-17,33-35H
InChIKeyPAYVUXNMYLDDFO-UHFFFAOYSA-N
XLogP6.21
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.48
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
dinaphthalen-2-ylmethanone
CID 10945915
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone
CID 139085201
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone
CID 177406182
(2,4-difluorophenyl)-(4-phenoxyphenyl)methanone
CID 146007872
[2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone
CID 143192242
[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58846906
(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
CID 69006998

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone?
The IUPAC name of (4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone (CID 58626356) is (4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone.
What is the SMILES notation for (4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone?
The canonical SMILES for (4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2ccc3ccccc3c2)c(O)c(O)c1O.
What is the InChIKey of (4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone?
The InChIKey is PAYVUXNMYLDDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O6/c31-26(19-12-14-23(15-13-19)36-22-8-2-1-3-9-22)24-17-25(29(34)30(35)28(24)33)27(32)21-11-10-18-6-4-5-7-20(18)16-21/h1-17,33-35H.
What are the key properties of (4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone?
(4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone has a molecular weight of 476.48 g/mol, XLogP of 6.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone is sourced from PubChem (CID 58626356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).