[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone

C37H25ClO4 — CID 59755388

IUPAC[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3cccc4c(Oc5ccc(C(=O)c6ccc(Cl)cc6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C37H25ClO4/c1-24-8-10-25(11-9-24)36(39)27-14-20-30(21-15-27)41-34-6-2-5-33-32(34)4-3-7-35(33)42-31-22-16-28(17-23-31)37(40)26-12-18-29(38)19-13-26/h2-23H,1H3
InChIKeyKFNQGDVEQJZAJE-UHFFFAOYSA-N
MW569.06 g/mol
LogP9.85
Rot. Bonds8

About [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone

[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone (PubChem CID 59755388) has the molecular formula C37H25ClO4 and a molecular weight of 569.06 g/mol. Its IUPAC name is [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
PubChem CID59755388
Molecular FormulaC37H25ClO4
Molecular Weight569.06 g/mol
Exact Mass568.14
IUPAC Name[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3cccc4c(Oc5ccc(C(=O)c6ccc(Cl)cc6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C37H25ClO4/c1-24-8-10-25(11-9-24)36(39)27-14-20-30(21-15-27)41-34-6-2-5-33-32(34)4-3-7-35(33)42-31-22-16-28(17-23-31)37(40)26-12-18-29(38)19-13-26/h2-23H,1H3
InChIKeyKFNQGDVEQJZAJE-UHFFFAOYSA-N
XLogP9.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.06
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59847042
[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
CID 59847037
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone
CID 59755419
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
1,5-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2,6-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2,7-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 161302751
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid
CID 130396444
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
CID 91388813

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone (CID 59755388) is [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Oc3cccc4c(Oc5ccc(C(=O)c6ccc(Cl)cc6)cc5)cccc34)cc2)cc1.
What is the InChIKey of [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone?
The InChIKey is KFNQGDVEQJZAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25ClO4/c1-24-8-10-25(11-9-24)36(39)27-14-20-30(21-15-27)41-34-6-2-5-33-32(34)4-3-7-35(33)42-31-22-16-28(17-23-31)37(40)26-12-18-29(38)19-13-26/h2-23H,1H3.
What are the key properties of [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone?
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone has a molecular weight of 569.06 g/mol, XLogP of 9.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 59755388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).