2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene

C29H24O3 — CID 59443492

IUPAC2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene
SMILESCOc1cc(-c2ccc3cc(OC)ccc3c2)cc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C29H24O3/c1-30-27-10-8-19-12-21(4-6-23(19)15-27)25-14-26(18-29(17-25)32-3)22-5-7-24-16-28(31-2)11-9-20(24)13-22/h4-18H,1-3H3
InChIKeyCQLYGRBBQRSEDT-UHFFFAOYSA-N
MW420.51 g/mol
LogP7.35
Rot. Bonds5

About 2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene

2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene (PubChem CID 59443492) has the molecular formula C29H24O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene.

Molecular Properties

Compound Name2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene
PubChem CID59443492
Molecular FormulaC29H24O3
Molecular Weight420.51 g/mol
Exact Mass420.17
IUPAC Name2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene
SMILESCOc1cc(-c2ccc3cc(OC)ccc3c2)cc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C29H24O3/c1-30-27-10-8-19-12-21(4-6-23(19)15-27)25-14-26(18-29(17-25)32-3)22-5-7-24-16-28(31-2)11-9-20(24)13-22/h4-18H,1-3H3
InChIKeyCQLYGRBBQRSEDT-UHFFFAOYSA-N
XLogP7.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene?
The IUPAC name of 2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene (CID 59443492) is 2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene.
What is the SMILES notation for 2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene?
The canonical SMILES for 2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene is COc1cc(-c2ccc3cc(OC)ccc3c2)cc(-c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of 2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene?
The InChIKey is CQLYGRBBQRSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O3/c1-30-27-10-8-19-12-21(4-6-23(19)15-27)25-14-26(18-29(17-25)32-3)22-5-7-24-16-28(31-2)11-9-20(24)13-22/h4-18H,1-3H3.
What are the key properties of 2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene?
2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene has a molecular weight of 420.51 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]naphthalene is sourced from PubChem (CID 59443492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).