2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene

C32H28IO4- — CID 153448752

IUPAC2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(OC)(OC)c3ccc(Oc4ccc([I-]c5ccccc5)cc4)cc3)ccc2c1
InChIInChI=1S/C32H28IO4/c1-34-31-16-10-23-21-26(11-9-24(23)22-31)32(35-2,36-3)25-12-17-29(18-13-25)37-30-19-14-28(15-20-30)33-27-7-5-4-6-8-27/h4-22H,1-3H3/q-1
InChIKeyYMHFQILILLZQQW-UHFFFAOYSA-N
MW603.48 g/mol
LogP4.26
Rot. Bonds9

About 2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene

2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene (PubChem CID 153448752) has the molecular formula C32H28IO4- and a molecular weight of 603.48 g/mol. Its IUPAC name is 2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene.

Molecular Properties

Compound Name2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene
PubChem CID153448752
Molecular FormulaC32H28IO4-
Molecular Weight603.48 g/mol
Exact Mass603.10
IUPAC Name2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(OC)(OC)c3ccc(Oc4ccc([I-]c5ccccc5)cc4)cc3)ccc2c1
InChIInChI=1S/C32H28IO4/c1-34-31-16-10-23-21-26(11-9-24(23)22-31)32(35-2,36-3)25-12-17-29(18-13-25)37-30-19-14-28(15-20-30)33-27-7-5-4-6-8-27/h4-22H,1-3H3/q-1
InChIKeyYMHFQILILLZQQW-UHFFFAOYSA-N
XLogP4.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
1,4-bis(4-phenyliodanuidylphenoxy)benzene
CID 59061639
1-[dimethoxy(phenyl)methyl]-4-(4-phenyliodanuidylphenyl)sulfanylbenzene
CID 153448816
[6-[dimethoxy-(4-methoxyphenyl)methyl]-2-hydroxynaphthalen-1-yl]-diphenylsulfanium
CID 163994100
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
[4-[4-[4-(4-diphenylsulfoniophenoxy)phenyl]iodanuidylphenoxy]phenyl]-diphenylsulfanium
CID 58900960
1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene
CID 174961611
4-[[4-[dimethoxy-(4-methoxyphenyl)methyl]phenyl]-iodo-phenyl-λ4-sulfanyl]phenol
CID 169083088
2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
CID 159191921
2-methoxy-6-phenylnaphthalene
CID 11253308
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554

Frequently Asked Questions

What is the IUPAC name of 2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene?
The IUPAC name of 2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene (CID 153448752) is 2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene.
What is the SMILES notation for 2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene?
The canonical SMILES for 2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene is COc1ccc2cc(C(OC)(OC)c3ccc(Oc4ccc([I-]c5ccccc5)cc4)cc3)ccc2c1.
What is the InChIKey of 2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene?
The InChIKey is YMHFQILILLZQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28IO4/c1-34-31-16-10-23-21-26(11-9-24(23)22-31)32(35-2,36-3)25-12-17-29(18-13-25)37-30-19-14-28(15-20-30)33-27-7-5-4-6-8-27/h4-22H,1-3H3/q-1.
What are the key properties of 2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene?
2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene has a molecular weight of 603.48 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene is sourced from PubChem (CID 153448752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).