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

C18H18FNO3 — CID 175252927

IUPAC[7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCC1(C)COc2cc(-c3ccc(F)cc3)ccc2C1OC(N)=O
InChIInChI=1S/C18H18FNO3/c1-18(2)10-22-15-9-12(11-3-6-13(19)7-4-11)5-8-14(15)16(18)23-17(20)21/h3-9,16H,10H2,1-2H3,(H2,20,21)
InChIKeyIWZQBEVSUMYXRS-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.05
Rot. Bonds2

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

[7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175252927) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is [7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175252927
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name[7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCC1(C)COc2cc(-c3ccc(F)cc3)ccc2C1OC(N)=O
InChIInChI=1S/C18H18FNO3/c1-18(2)10-22-15-9-12(11-3-6-13(19)7-4-11)5-8-14(15)16(18)23-17(20)21/h3-9,16H,10H2,1-2H3,(H2,20,21)
InChIKeyIWZQBEVSUMYXRS-UHFFFAOYSA-N
XLogP4.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175252927) is [7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is CC1(C)COc2cc(-c3ccc(F)cc3)ccc2C1OC(N)=O.
What is the InChIKey of [7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is IWZQBEVSUMYXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-18(2)10-22-15-9-12(11-3-6-13(19)7-4-11)5-8-14(15)16(18)23-17(20)21/h3-9,16H,10H2,1-2H3,(H2,20,21).
What are the key properties of [7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 315.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175252927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).