(4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene

C21H26O2 — CID 145480711

IUPAC(4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene
SMILESCC/C=C1/CCCc2c1c(OCC)c1ccccc1c2OCC
InChIInChI=1S/C21H26O2/c1-4-10-15-11-9-14-18-19(15)21(23-6-3)17-13-8-7-12-16(17)20(18)22-5-2/h7-8,10,12-13H,4-6,9,11,14H2,1-3H3/b15-10-
InChIKeyKYZICYYLNPNYFB-GDNBJRDFSA-N
MW310.44 g/mol
LogP5.77
Rot. Bonds5

About (4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene

(4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene (PubChem CID 145480711) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene.

Molecular Properties

Compound Name(4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene
PubChem CID145480711
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name(4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene
SMILESCC/C=C1/CCCc2c1c(OCC)c1ccccc1c2OCC
InChIInChI=1S/C21H26O2/c1-4-10-15-11-9-14-18-19(15)21(23-6-3)17-13-8-7-12-16(17)20(18)22-5-2/h7-8,10,12-13H,4-6,9,11,14H2,1-3H3/b15-10-
InChIKeyKYZICYYLNPNYFB-GDNBJRDFSA-N
XLogP5.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene?
The IUPAC name of (4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene (CID 145480711) is (4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene.
What is the SMILES notation for (4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene?
The canonical SMILES for (4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene is CC/C=C1/CCCc2c1c(OCC)c1ccccc1c2OCC.
What is the InChIKey of (4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene?
The InChIKey is KYZICYYLNPNYFB-GDNBJRDFSA-N. The full InChI is InChI=1S/C21H26O2/c1-4-10-15-11-9-14-18-19(15)21(23-6-3)17-13-8-7-12-16(17)20(18)22-5-2/h7-8,10,12-13H,4-6,9,11,14H2,1-3H3/b15-10-.
What are the key properties of (4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene?
(4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene has a molecular weight of 310.44 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene is sourced from PubChem (CID 145480711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).