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

C19H20FNO4 — CID 175253145

IUPAC[6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCOc1cccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)CO3)c1
InChIInChI=1S/C19H20FNO4/c1-19(2)10-24-16-9-13(11-5-4-6-12(7-11)23-3)15(20)8-14(16)17(19)25-18(21)22/h4-9,17H,10H2,1-3H3,(H2,21,22)
InChIKeyKOOOCXCKBDZDSV-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.06
Rot. Bonds3

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

[6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175253145) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175253145
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCOc1cccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)CO3)c1
InChIInChI=1S/C19H20FNO4/c1-19(2)10-24-16-9-13(11-5-4-6-12(7-11)23-3)15(20)8-14(16)17(19)25-18(21)22/h4-9,17H,10H2,1-3H3,(H2,21,22)
InChIKeyKOOOCXCKBDZDSV-UHFFFAOYSA-N
XLogP4.06
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175253145) is [6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is COc1cccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)CO3)c1.
What is the InChIKey of [6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is KOOOCXCKBDZDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-19(2)10-24-16-9-13(11-5-4-6-12(7-11)23-3)15(20)8-14(16)17(19)25-18(21)22/h4-9,17H,10H2,1-3H3,(H2,21,22).
What are the key properties of [6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 345.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175253145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).