[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

C21H25NO4 — CID 175253132

IUPAC[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCOc1c(C)cc(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)cc1C
InChIInChI=1S/C21H25NO4/c1-12-8-15(9-13(2)18(12)24-5)14-6-7-16-17(10-14)25-11-21(3,4)19(16)26-20(22)23/h6-10,19H,11H2,1-5H3,(H2,22,23)
InChIKeyLNPMFPUEOGGMKH-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.53
Rot. Bonds3

About [7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175253132) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175253132
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCOc1c(C)cc(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)cc1C
InChIInChI=1S/C21H25NO4/c1-12-8-15(9-13(2)18(12)24-5)14-6-7-16-17(10-14)25-11-21(3,4)19(16)26-20(22)23/h6-10,19H,11H2,1-5H3,(H2,22,23)
InChIKeyLNPMFPUEOGGMKH-UHFFFAOYSA-N
XLogP4.53
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175253132) is [7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is COc1c(C)cc(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)cc1C.
What is the InChIKey of [7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is LNPMFPUEOGGMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-12-8-15(9-13(2)18(12)24-5)14-6-7-16-17(10-14)25-11-21(3,4)19(16)26-20(22)23/h6-10,19H,11H2,1-5H3,(H2,22,23).
What are the key properties of [7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 355.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175253132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).