7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene

C28H34O5 — CID 14427469

IUPAC7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
SMILESCOc1cc2c(cc1C(C)OC(C)c1cc3c(cc1OC)OC(C)(C)C=C3)C=CC(C)(C)O2
InChIInChI=1S/C28H34O5/c1-17(21-13-19-9-11-27(3,4)32-23(19)15-25(21)29-7)31-18(2)22-14-20-10-12-28(5,6)33-24(20)16-26(22)30-8/h9-18H,1-8H3
InChIKeyYVOFPTMROPMBQF-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.91
Rot. Bonds6

About 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene

7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene (PubChem CID 14427469) has the molecular formula C28H34O5 and a molecular weight of 450.58 g/mol. Its IUPAC name is 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene.

Molecular Properties

Compound Name7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
PubChem CID14427469
Molecular FormulaC28H34O5
Molecular Weight450.58 g/mol
Exact Mass450.24
IUPAC Name7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
SMILESCOc1cc2c(cc1C(C)OC(C)c1cc3c(cc1OC)OC(C)(C)C=C3)C=CC(C)(C)O2
InChIInChI=1S/C28H34O5/c1-17(21-13-19-9-11-27(3,4)32-23(19)15-25(21)29-7)31-18(2)22-14-20-10-12-28(5,6)33-24(20)16-26(22)30-8/h9-18H,1-8H3
InChIKeyYVOFPTMROPMBQF-UHFFFAOYSA-N
XLogP6.91
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene 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

7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene
CID 14427467
[(1S)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl] (Z)-2-methylbut-2-enoate
CID 163186665
7-methoxy-2,2-dimethyl-6-propan-2-yloxychromene
CID 15390937
(E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide
CID 73333328
2-(2,2,7-trimethylchromen-6-yl)propan-1-amine
CID 117096976
2,2-dimethylbenzo[g]chromene
CID 1218933
1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one
CID 163074062
(2S)-1-(2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)propan-1-one
CID 118199584
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
6-(1-anilinoethyl)-2,2-dimethylchromen-7-ol
CID 86576983
methyl 7-hydroxy-2,2-dimethylchromene-6-carboxylate
CID 101088554
2,2,7-trimethylchromene
CID 12934382

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene?
The IUPAC name of 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene (CID 14427469) is 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene.
What is the SMILES notation for 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene?
The canonical SMILES for 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene is COc1cc2c(cc1C(C)OC(C)c1cc3c(cc1OC)OC(C)(C)C=C3)C=CC(C)(C)O2.
What is the InChIKey of 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene?
The InChIKey is YVOFPTMROPMBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O5/c1-17(21-13-19-9-11-27(3,4)32-23(19)15-25(21)29-7)31-18(2)22-14-20-10-12-28(5,6)33-24(20)16-26(22)30-8/h9-18H,1-8H3.
What are the key properties of 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene?
7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene has a molecular weight of 450.58 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene is sourced from PubChem (CID 14427469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).