3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene

C34H30O3 — CID 139694625

IUPAC3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene
SMILESCOCCOCCc1ccc(C2(c3ccc4ccccc4c3)C=Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C34H30O3/c1-35-22-23-36-21-19-25-10-14-29(15-11-25)34(30-16-12-26-6-2-3-8-28(26)24-30)20-18-32-31-9-5-4-7-27(31)13-17-33(32)37-34/h2-18,20,24H,19,21-23H2,1H3
InChIKeyWCXVRHHPIPPUQH-UHFFFAOYSA-N
MW486.61 g/mol
LogP7.55
Rot. Bonds8

About 3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene

3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene (PubChem CID 139694625) has the molecular formula C34H30O3 and a molecular weight of 486.61 g/mol. Its IUPAC name is 3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene.

Molecular Properties

Compound Name3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene
PubChem CID139694625
Molecular FormulaC34H30O3
Molecular Weight486.61 g/mol
Exact Mass486.22
IUPAC Name3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene
SMILESCOCCOCCc1ccc(C2(c3ccc4ccccc4c3)C=Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C34H30O3/c1-35-22-23-36-21-19-25-10-14-29(15-11-25)34(30-16-12-26-6-2-3-8-28(26)24-30)20-18-32-31-9-5-4-7-27(31)13-17-33(32)37-34/h2-18,20,24H,19,21-23H2,1H3
InChIKeyWCXVRHHPIPPUQH-UHFFFAOYSA-N
XLogP7.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene?
The IUPAC name of 3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene (CID 139694625) is 3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene.
What is the SMILES notation for 3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene?
The canonical SMILES for 3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene is COCCOCCc1ccc(C2(c3ccc4ccccc4c3)C=Cc3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene?
The InChIKey is WCXVRHHPIPPUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O3/c1-35-22-23-36-21-19-25-10-14-29(15-11-25)34(30-16-12-26-6-2-3-8-28(26)24-30)20-18-32-31-9-5-4-7-27(31)13-17-33(32)37-34/h2-18,20,24H,19,21-23H2,1H3.
What are the key properties of 3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene?
3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene has a molecular weight of 486.61 g/mol, XLogP of 7.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene is sourced from PubChem (CID 139694625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).