9,10-diethoxy-1,4-dihydroanthracene

C18H20O2 — CID 139881185

IUPAC9,10-diethoxy-1,4-dihydroanthracene
SMILESCCOc1c2c(c(OCC)c3ccccc13)CC=CC2
InChIInChI=1S/C18H20O2/c1-3-19-17-13-9-5-7-11-15(13)18(20-4-2)16-12-8-6-10-14(16)17/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyWEHXTTLRUKETPB-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.29
Rot. Bonds4

About 9,10-diethoxy-1,4-dihydroanthracene

9,10-diethoxy-1,4-dihydroanthracene (PubChem CID 139881185) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 9,10-diethoxy-1,4-dihydroanthracene.

Molecular Properties

Compound Name9,10-diethoxy-1,4-dihydroanthracene
PubChem CID139881185
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name9,10-diethoxy-1,4-dihydroanthracene
SMILESCCOc1c2c(c(OCC)c3ccccc13)CC=CC2
InChIInChI=1S/C18H20O2/c1-3-19-17-13-9-5-7-11-15(13)18(20-4-2)16-12-8-6-10-14(16)17/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyWEHXTTLRUKETPB-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,10-dihexoxy-1,4-dihydroanthracene
CID 139881183
4,9-diethoxy-1,2-dihydrobenzo[f]isoindol-3-one
CID 141185201
1,4-diethoxynaphthalene-2,3-dicarbaldehyde
CID 88868655
(4Z)-9,10-diethoxy-4-propylidene-2,3-dihydro-1H-anthracene
CID 145480711
2-methyl-9,10-dipropoxy-1,4-dihydroanthracene
CID 139881193
9,10-diethoxyanthracen-2-ol
CID 139656119
3,4-diethoxychromen-2-one
CID 90255816
4-ethoxy-1-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 23269827
[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
ethoxyethane;phenanthrene
CID 174652079
1-ethoxyphenanthrene
CID 19828992
1-ethoxy-2-methoxynaphthalene
CID 45093938

Frequently Asked Questions

What is the IUPAC name of 9,10-diethoxy-1,4-dihydroanthracene?
The IUPAC name of 9,10-diethoxy-1,4-dihydroanthracene (CID 139881185) is 9,10-diethoxy-1,4-dihydroanthracene.
What is the SMILES notation for 9,10-diethoxy-1,4-dihydroanthracene?
The canonical SMILES for 9,10-diethoxy-1,4-dihydroanthracene is CCOc1c2c(c(OCC)c3ccccc13)CC=CC2.
What is the InChIKey of 9,10-diethoxy-1,4-dihydroanthracene?
The InChIKey is WEHXTTLRUKETPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-19-17-13-9-5-7-11-15(13)18(20-4-2)16-12-8-6-10-14(16)17/h5-9,11H,3-4,10,12H2,1-2H3.
What are the key properties of 9,10-diethoxy-1,4-dihydroanthracene?
9,10-diethoxy-1,4-dihydroanthracene has a molecular weight of 268.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diethoxy-1,4-dihydroanthracene is sourced from PubChem (CID 139881185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).