6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene]

C21H20O4 — CID 11660057

IUPAC6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene]
SMILESCOc1ccc2c(c1)C=C(C)C1(O2)Oc2ccc(OC)cc2C=C1C
InChIInChI=1S/C21H20O4/c1-13-9-15-11-17(22-3)5-7-19(15)24-21(13)14(2)10-16-12-18(23-4)6-8-20(16)25-21/h5-12H,1-4H3
InChIKeyDMZWIFAJGHZGCV-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.69
Rot. Bonds2

About 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene]

6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene] (PubChem CID 11660057) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene].

Molecular Properties

Compound Name6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene]
PubChem CID11660057
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene]
SMILESCOc1ccc2c(c1)C=C(C)C1(O2)Oc2ccc(OC)cc2C=C1C
InChIInChI=1S/C21H20O4/c1-13-9-15-11-17(22-3)5-7-19(15)24-21(13)14(2)10-16-12-18(23-4)6-8-20(16)25-21/h5-12H,1-4H3
InChIKeyDMZWIFAJGHZGCV-UHFFFAOYSA-N
XLogP4.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene] 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

2,5-Dimethoxytoluene
CID 90552
(1,1'-Biphenyl)-2,5-diol, 2,5-diacetate
CID 94584
Hydroquinone dibenzyl ether
CID 69315
4-Benzyloxyanisole
CID 138794
4-methoxy-2-[(E)-3-phenylprop-2-enyl]phenol
CID 12564793
(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 73352060
6-Methoxy-2H-1-benzopyran
CID 29052
1-(Benzyloxy)-2-[2-(3-methoxyphenyl)ethyl]benzene
CID 11973927
2-Allyl-4-methoxy-1-propoxybenzene (4c)
CID 24770788
Ethyl (4-methyl-2-oxochromen-6-yl) carbonate
CID 704700
3-[(E)-styryl]-2H-chromene
CID 46935147
7,8-Dihydro-6H-chromeno[3,2-d]xanthene
CID 4128935

Frequently Asked Questions

What is the IUPAC name of 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene]?
The IUPAC name of 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene] (CID 11660057) is 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene].
What is the SMILES notation for 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene]?
The canonical SMILES for 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene] is COc1ccc2c(c1)C=C(C)C1(O2)Oc2ccc(OC)cc2C=C1C.
What is the InChIKey of 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene]?
The InChIKey is DMZWIFAJGHZGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-13-9-15-11-17(22-3)5-7-19(15)24-21(13)14(2)10-16-12-18(23-4)6-8-20(16)25-21/h5-12H,1-4H3.
What are the key properties of 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene]?
6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene] has a molecular weight of 336.39 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6'-dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene] is sourced from PubChem (CID 11660057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).