1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene

C23H20O2 — CID 159998004

IUPAC1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene
SMILESCC1CC(Oc2ccccc2)=C(Oc2ccccc2)c2ccccc21
InChIInChI=1S/C23H20O2/c1-17-16-22(24-18-10-4-2-5-11-18)23(21-15-9-8-14-20(17)21)25-19-12-6-3-7-13-19/h2-15,17H,16H2,1H3
InChIKeyJGQJQCZAZVHHCF-UHFFFAOYSA-N
MW328.41 g/mol
LogP6.02
Rot. Bonds4

About 1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene

1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene (PubChem CID 159998004) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene
PubChem CID159998004
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene
SMILESCC1CC(Oc2ccccc2)=C(Oc2ccccc2)c2ccccc21
InChIInChI=1S/C23H20O2/c1-17-16-22(24-18-10-4-2-5-11-18)23(21-15-9-8-14-20(17)21)25-19-12-6-3-7-13-19/h2-15,17H,16H2,1H3
InChIKeyJGQJQCZAZVHHCF-UHFFFAOYSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
CID 130570318
(2Z)-2-(4-methyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)acetic acid
CID 101030638
5-methyl-1,3-diphenyl-4,5-dihydrobenzo[g]indazole
CID 12713181
1,4-dimethyl-1,2-dihydronaphthalene
CID 19377181
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene?
The IUPAC name of 1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene (CID 159998004) is 1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene?
The canonical SMILES for 1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene is CC1CC(Oc2ccccc2)=C(Oc2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene?
The InChIKey is JGQJQCZAZVHHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-17-16-22(24-18-10-4-2-5-11-18)23(21-15-9-8-14-20(17)21)25-19-12-6-3-7-13-19/h2-15,17H,16H2,1H3.
What are the key properties of 1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene?
1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene has a molecular weight of 328.41 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 159998004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).