7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]

C29H22O3 — CID 19084318

IUPAC7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
SMILESCOc1ccc2c(c1)OC(c1ccccc1)=C(C)C21C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C29H22O3/c1-19-28(21-9-4-3-5-10-21)31-27-18-22(30-2)13-14-25(27)29(19)17-16-24-23-11-7-6-8-20(23)12-15-26(24)32-29/h3-18H,1-2H3
InChIKeyWVRXADCSKPBCFC-UHFFFAOYSA-N
MW418.49 g/mol
LogP6.97
Rot. Bonds2

About 7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]

7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene] (PubChem CID 19084318) has the molecular formula C29H22O3 and a molecular weight of 418.49 g/mol. Its IUPAC name is 7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene].

Molecular Properties

Compound Name7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
PubChem CID19084318
Molecular FormulaC29H22O3
Molecular Weight418.49 g/mol
Exact Mass418.16
IUPAC Name7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
SMILESCOc1ccc2c(c1)OC(c1ccccc1)=C(C)C21C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C29H22O3/c1-19-28(21-9-4-3-5-10-21)31-27-18-22(30-2)13-14-25(27)29(19)17-16-24-23-11-7-6-8-20(23)12-15-26(24)32-29/h3-18H,1-2H3
InChIKeyWVRXADCSKPBCFC-UHFFFAOYSA-N
XLogP6.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]?
The IUPAC name of 7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene] (CID 19084318) is 7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene].
What is the SMILES notation for 7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]?
The canonical SMILES for 7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene] is COc1ccc2c(c1)OC(c1ccccc1)=C(C)C21C=Cc2c(ccc3ccccc23)O1.
What is the InChIKey of 7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]?
The InChIKey is WVRXADCSKPBCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O3/c1-19-28(21-9-4-3-5-10-21)31-27-18-22(30-2)13-14-25(27)29(19)17-16-24-23-11-7-6-8-20(23)12-15-26(24)32-29/h3-18H,1-2H3.
What are the key properties of 7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]?
7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene] has a molecular weight of 418.49 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene] is sourced from PubChem (CID 19084318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).