[7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

C19H19F2NO4 — CID 175253203

IUPAC[7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCOc1cc(F)c(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)cc1F
InChIInChI=1S/C19H19F2NO4/c1-19(2)9-25-15-6-10(4-5-11(15)17(19)26-18(22)23)12-7-14(21)16(24-3)8-13(12)20/h4-8,17H,9H2,1-3H3,(H2,22,23)
InChIKeyCPNFJOJYRBUGJD-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.20
Rot. Bonds3

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

[7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175253203) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is [7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175253203
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name[7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCOc1cc(F)c(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)cc1F
InChIInChI=1S/C19H19F2NO4/c1-19(2)9-25-15-6-10(4-5-11(15)17(19)26-18(22)23)12-7-14(21)16(24-3)8-13(12)20/h4-8,17H,9H2,1-3H3,(H2,22,23)
InChIKeyCPNFJOJYRBUGJD-UHFFFAOYSA-N
XLogP4.20
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175253203) is [7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is COc1cc(F)c(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)cc1F.
What is the InChIKey of [7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is CPNFJOJYRBUGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-19(2)9-25-15-6-10(4-5-11(15)17(19)26-18(22)23)12-7-14(21)16(24-3)8-13(12)20/h4-8,17H,9H2,1-3H3,(H2,22,23).
What are the key properties of [7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 363.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175253203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).