4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene

C26H26O4 — CID 10250525

IUPAC4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene
SMILESCCOc1ccc(-c2ccc(OCC)c3c(OC)cccc23)c2cccc(OC)c12
InChIInChI=1S/C26H26O4/c1-5-29-23-15-13-17(19-9-7-11-21(27-3)25(19)23)18-14-16-24(30-6-2)26-20(18)10-8-12-22(26)28-4/h7-16H,5-6H2,1-4H3
InChIKeyIQCQSLNHMRPDMY-UHFFFAOYSA-N
MW402.49 g/mol
LogP6.47
Rot. Bonds7

About 4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene

4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene (PubChem CID 10250525) has the molecular formula C26H26O4 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene.

Molecular Properties

Compound Name4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene
PubChem CID10250525
Molecular FormulaC26H26O4
Molecular Weight402.49 g/mol
Exact Mass402.18
IUPAC Name4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene
SMILESCCOc1ccc(-c2ccc(OCC)c3c(OC)cccc23)c2cccc(OC)c12
InChIInChI=1S/C26H26O4/c1-5-29-23-15-13-17(19-9-7-11-21(27-3)25(19)23)18-14-16-24(30-6-2)26-20(18)10-8-12-22(26)28-4/h7-16H,5-6H2,1-4H3
InChIKeyIQCQSLNHMRPDMY-UHFFFAOYSA-N
XLogP6.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-2-ethyl-3-methoxybenzene
CID 155116289
1-ethoxy-2-methoxynaphthalene
CID 45093938
3-ethoxy-4,5,6-trimethoxyphenanthrene
CID 16638082
lithium;1-ethoxynaphthalene;hydride
CID 174613942
7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene
CID 72722587
1-(2-ethoxy-6-methoxyphenyl)ethenol
CID 142811438
5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole
CID 12737402
5-ethoxy-1H-benzo[cd]indol-2-one
CID 23460821
1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
CID 22008080
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
CID 122402189
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene?
The IUPAC name of 4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene (CID 10250525) is 4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene.
What is the SMILES notation for 4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene?
The canonical SMILES for 4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene is CCOc1ccc(-c2ccc(OCC)c3c(OC)cccc23)c2cccc(OC)c12.
What is the InChIKey of 4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene?
The InChIKey is IQCQSLNHMRPDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O4/c1-5-29-23-15-13-17(19-9-7-11-21(27-3)25(19)23)18-14-16-24(30-6-2)26-20(18)10-8-12-22(26)28-4/h7-16H,5-6H2,1-4H3.
What are the key properties of 4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene?
4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene has a molecular weight of 402.49 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene is sourced from PubChem (CID 10250525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).