[7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate

C18H16F3NO4 — CID 175252931

IUPAC[7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESCOc1ccc(-c2ccc3c(c2)OCCC3OC(N)=O)cc1C(F)(F)F
InChIInChI=1S/C18H16F3NO4/c1-24-15-5-3-10(8-13(15)18(19,20)21)11-2-4-12-14(26-17(22)23)6-7-25-16(12)9-11/h2-5,8-9,14H,6-7H2,1H3,(H2,22,23)
InChIKeyIAPRTLFZIIAKIY-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.30
Rot. Bonds3

About [7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate

[7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate (PubChem CID 175252931) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is [7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate
PubChem CID175252931
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name[7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESCOc1ccc(-c2ccc3c(c2)OCCC3OC(N)=O)cc1C(F)(F)F
InChIInChI=1S/C18H16F3NO4/c1-24-15-5-3-10(8-13(15)18(19,20)21)11-2-4-12-14(26-17(22)23)6-7-25-16(12)9-11/h2-5,8-9,14H,6-7H2,1H3,(H2,22,23)
InChIKeyIAPRTLFZIIAKIY-UHFFFAOYSA-N
XLogP4.30
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate?
The IUPAC name of [7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate (CID 175252931) is [7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate.
What is the SMILES notation for [7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate?
The canonical SMILES for [7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate is COc1ccc(-c2ccc3c(c2)OCCC3OC(N)=O)cc1C(F)(F)F.
What is the InChIKey of [7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate?
The InChIKey is IAPRTLFZIIAKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-24-15-5-3-10(8-13(15)18(19,20)21)11-2-4-12-14(26-17(22)23)6-7-25-16(12)9-11/h2-5,8-9,14H,6-7H2,1H3,(H2,22,23).
What are the key properties of [7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate?
[7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate has a molecular weight of 367.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate is sourced from PubChem (CID 175252931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).