(1E)-9-ethyl-1-ethylidene-4-methoxyphenalene

C18H18O — CID 157289520

IUPAC(1E)-9-ethyl-1-ethylidene-4-methoxyphenalene
SMILESC/C=c1\ccc2c(OC)ccc3ccc(CC)c1c32
InChIInChI=1S/C18H18O/c1-4-12-6-7-14-9-11-16(19-3)15-10-8-13(5-2)17(12)18(14)15/h5-11H,4H2,1-3H3/b13-5+
InChIKeyWZKGCCMZTRKXAI-WLRTZDKTSA-N
MW250.34 g/mol
LogP4.08
Rot. Bonds2

About (1E)-9-ethyl-1-ethylidene-4-methoxyphenalene

(1E)-9-ethyl-1-ethylidene-4-methoxyphenalene (PubChem CID 157289520) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (1E)-9-ethyl-1-ethylidene-4-methoxyphenalene.

Molecular Properties

Compound Name(1E)-9-ethyl-1-ethylidene-4-methoxyphenalene
PubChem CID157289520
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(1E)-9-ethyl-1-ethylidene-4-methoxyphenalene
SMILESC/C=c1\ccc2c(OC)ccc3ccc(CC)c1c32
InChIInChI=1S/C18H18O/c1-4-12-6-7-14-9-11-16(19-3)15-10-8-13(5-2)17(12)18(14)15/h5-11H,4H2,1-3H3/b13-5+
InChIKeyWZKGCCMZTRKXAI-WLRTZDKTSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;(9Z)-9-ethylidene-1,4-dimethylphenalene
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3-ethoxy-4,5,6-trimethoxyphenanthrene
CID 16638082
1-ethylpyrene;methane
CID 142201759
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1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
1-ethyl-2-isothiocyanato-3,4-dimethoxybenzene
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Frequently Asked Questions

What is the IUPAC name of (1E)-9-ethyl-1-ethylidene-4-methoxyphenalene?
The IUPAC name of (1E)-9-ethyl-1-ethylidene-4-methoxyphenalene (CID 157289520) is (1E)-9-ethyl-1-ethylidene-4-methoxyphenalene.
What is the SMILES notation for (1E)-9-ethyl-1-ethylidene-4-methoxyphenalene?
The canonical SMILES for (1E)-9-ethyl-1-ethylidene-4-methoxyphenalene is C/C=c1\ccc2c(OC)ccc3ccc(CC)c1c32.
What is the InChIKey of (1E)-9-ethyl-1-ethylidene-4-methoxyphenalene?
The InChIKey is WZKGCCMZTRKXAI-WLRTZDKTSA-N. The full InChI is InChI=1S/C18H18O/c1-4-12-6-7-14-9-11-16(19-3)15-10-8-13(5-2)17(12)18(14)15/h5-11H,4H2,1-3H3/b13-5+.
What are the key properties of (1E)-9-ethyl-1-ethylidene-4-methoxyphenalene?
(1E)-9-ethyl-1-ethylidene-4-methoxyphenalene has a molecular weight of 250.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-9-ethyl-1-ethylidene-4-methoxyphenalene is sourced from PubChem (CID 157289520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).