1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene

C28H22O4 — CID 146547657

IUPAC1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
SMILESCOc1ccc(Oc2ccc(Oc3ccc(OC)c4ccccc34)cc2)c2ccccc12
InChIInChI=1S/C28H22O4/c1-29-25-15-17-27(23-9-5-3-7-21(23)25)31-19-11-13-20(14-12-19)32-28-18-16-26(30-2)22-8-4-6-10-24(22)28/h3-18H,1-2H3
InChIKeyZHUBTHSSYNFVOR-UHFFFAOYSA-N
MW422.48 g/mol
LogP7.59
Rot. Bonds6

About 1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene

1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene (PubChem CID 146547657) has the molecular formula C28H22O4 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene.

Molecular Properties

Compound Name1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
PubChem CID146547657
Molecular FormulaC28H22O4
Molecular Weight422.48 g/mol
Exact Mass422.15
IUPAC Name1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
SMILESCOc1ccc(Oc2ccc(Oc3ccc(OC)c4ccccc34)cc2)c2ccccc12
InChIInChI=1S/C28H22O4/c1-29-25-15-17-27(23-9-5-3-7-21(23)25)31-19-11-13-20(14-12-19)32-28-18-16-26(30-2)22-8-4-6-10-24(22)28/h3-18H,1-2H3
InChIKeyZHUBTHSSYNFVOR-UHFFFAOYSA-N
XLogP7.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene?
The IUPAC name of 1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene (CID 146547657) is 1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene.
What is the SMILES notation for 1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene?
The canonical SMILES for 1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene is COc1ccc(Oc2ccc(Oc3ccc(OC)c4ccccc34)cc2)c2ccccc12.
What is the InChIKey of 1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene?
The InChIKey is ZHUBTHSSYNFVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O4/c1-29-25-15-17-27(23-9-5-3-7-21(23)25)31-19-11-13-20(14-12-19)32-28-18-16-26(30-2)22-8-4-6-10-24(22)28/h3-18H,1-2H3.
What are the key properties of 1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene?
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene has a molecular weight of 422.48 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene is sourced from PubChem (CID 146547657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).