2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol

C19H14F2O3 — CID 101221197

IUPAC2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol
SMILESCOc1ccc2c(c1)CCc1c-2ccc2c(O)c(F)c(F)c(O)c12
InChIInChI=1S/C19H14F2O3/c1-24-10-3-5-11-9(8-10)2-4-13-12(11)6-7-14-15(13)19(23)17(21)16(20)18(14)22/h3,5-8,22-23H,2,4H2,1H3
InChIKeyWZDLVIDVMGKKQX-UHFFFAOYSA-N
MW328.31 g/mol
LogP4.30
Rot. Bonds1

About 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol

2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol (PubChem CID 101221197) has the molecular formula C19H14F2O3 and a molecular weight of 328.31 g/mol. Its IUPAC name is 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol.

Molecular Properties

Compound Name2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol
PubChem CID101221197
Molecular FormulaC19H14F2O3
Molecular Weight328.31 g/mol
Exact Mass328.09
IUPAC Name2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol
SMILESCOc1ccc2c(c1)CCc1c-2ccc2c(O)c(F)c(F)c(O)c12
InChIInChI=1S/C19H14F2O3/c1-24-10-3-5-11-9(8-10)2-4-13-12(11)6-7-14-15(13)19(23)17(21)16(20)18(14)22/h3,5-8,22-23H,2,4H2,1H3
InChIKeyWZDLVIDVMGKKQX-UHFFFAOYSA-N
XLogP4.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424
7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54106372
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
(7-methoxy-9,10-dihydrophenanthren-2-yl) 6-acetylnaphthalene-2-carboxylate
CID 58800525
7-methoxy-4,5-dihydro-1H-benzo[g]indole
CID 10535996
5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
CID 11030624
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
[(5-methoxy-2,3-dihydroinden-1-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 2876981
3-methoxy-8-methyl-6,11-dihydro-5H-benzo[a]carbazole
CID 54511080
7,19-dimethoxy-13-phenyl-2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 27017806
9-methoxy-11H-benzo[a]fluorene
CID 13401823
3,4,7-trimethoxy-9H-fluoren-2-ol
CID 174383532

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol?
The IUPAC name of 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol (CID 101221197) is 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol.
What is the SMILES notation for 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol?
The canonical SMILES for 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol is COc1ccc2c(c1)CCc1c-2ccc2c(O)c(F)c(F)c(O)c12.
What is the InChIKey of 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol?
The InChIKey is WZDLVIDVMGKKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O3/c1-24-10-3-5-11-9(8-10)2-4-13-12(11)6-7-14-15(13)19(23)17(21)16(20)18(14)22/h3,5-8,22-23H,2,4H2,1H3.
What are the key properties of 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol?
2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol has a molecular weight of 328.31 g/mol, XLogP of 4.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol is sourced from PubChem (CID 101221197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).