methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate

C24H22O4 — CID 10643132

IUPACmethyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1c2c(c3ccccc3c1OCc1ccccc1)OC(C)(C)C=C2
InChIInChI=1S/C24H22O4/c1-24(2)14-13-19-20(23(25)26-3)22(27-15-16-9-5-4-6-10-16)18-12-8-7-11-17(18)21(19)28-24/h4-14H,15H2,1-3H3
InChIKeySPFNOIXUFBBVOQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.39
Rot. Bonds4

About methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate

methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate (PubChem CID 10643132) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate
PubChem CID10643132
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Namemethyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1c2c(c3ccccc3c1OCc1ccccc1)OC(C)(C)C=C2
InChIInChI=1S/C24H22O4/c1-24(2)14-13-19-20(23(25)26-3)22(27-15-16-9-5-4-6-10-16)18-12-8-7-11-17(18)21(19)28-24/h4-14H,15H2,1-3H3
InChIKeySPFNOIXUFBBVOQ-UHFFFAOYSA-N
XLogP5.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate (CID 10643132) is methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate is COC(=O)c1c2c(c3ccccc3c1OCc1ccccc1)OC(C)(C)C=C2.
What is the InChIKey of methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate?
The InChIKey is SPFNOIXUFBBVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-24(2)14-13-19-20(23(25)26-3)22(27-15-16-9-5-4-6-10-16)18-12-8-7-11-17(18)21(19)28-24/h4-14H,15H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate?
methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate is sourced from PubChem (CID 10643132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).