[7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

C20H23NO4 — CID 175252942

IUPAC[7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCCOc1ccc(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)cc1
InChIInChI=1S/C20H23NO4/c1-4-23-15-8-5-13(6-9-15)14-7-10-16-17(11-14)24-12-20(2,3)18(16)25-19(21)22/h5-11,18H,4,12H2,1-3H3,(H2,21,22)
InChIKeyGSDTZYSKFYLNNM-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.31
Rot. Bonds4

About [7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

[7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175252942) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175252942
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCCOc1ccc(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)cc1
InChIInChI=1S/C20H23NO4/c1-4-23-15-8-5-13(6-9-15)14-7-10-16-17(11-14)24-12-20(2,3)18(16)25-19(21)22/h5-11,18H,4,12H2,1-3H3,(H2,21,22)
InChIKeyGSDTZYSKFYLNNM-UHFFFAOYSA-N
XLogP4.31
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate
CID 175254067
(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253181
[7-(3-chloro-4-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252980
[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253017
[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253132
(3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253943
(3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253946
[7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253075
[7-(2-fluoro-6-methyl-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253227
[6-methoxy-3,3-dimethyl-7-[4-(2-methylpropoxy)phenyl]-2,4-dihydrochromen-4-yl] carbamate
CID 175254124
[5-(4-butoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296580
[(1R)-6-ethoxy-5-(4-ethoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498027

Frequently Asked Questions

What is the IUPAC name of [7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175252942) is [7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is CCOc1ccc(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)cc1.
What is the InChIKey of [7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is GSDTZYSKFYLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-23-15-8-5-13(6-9-15)14-7-10-16-17(11-14)24-12-20(2,3)18(16)25-19(21)22/h5-11,18H,4,12H2,1-3H3,(H2,21,22).
What are the key properties of [7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 341.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175252942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).