[7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

C20H22FNO3 — CID 175252957

IUPAC[7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCCc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)CO3)cc1
InChIInChI=1S/C20H22FNO3/c1-4-12-5-7-13(8-6-12)14-10-17-15(9-16(14)21)18(25-19(22)23)20(2,3)11-24-17/h5-10,18H,4,11H2,1-3H3,(H2,22,23)
InChIKeyRCYDSLXPPLWEMF-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.61
Rot. Bonds3

About [7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

[7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175252957) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is [7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175252957
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name[7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCCc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)CO3)cc1
InChIInChI=1S/C20H22FNO3/c1-4-12-5-7-13(8-6-12)14-10-17-15(9-16(14)21)18(25-19(22)23)20(2,3)11-24-17/h5-10,18H,4,11H2,1-3H3,(H2,22,23)
InChIKeyRCYDSLXPPLWEMF-UHFFFAOYSA-N
XLogP4.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175252957) is [7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is CCc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)CO3)cc1.
What is the InChIKey of [7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is RCYDSLXPPLWEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-4-12-5-7-13(8-6-12)14-10-17-15(9-16(14)21)18(25-19(22)23)20(2,3)11-24-17/h5-10,18H,4,11H2,1-3H3,(H2,22,23).
What are the key properties of [7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 343.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-ethylphenyl)-6-fluoro-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175252957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).