[7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate

C20H23NO3 — CID 175254109

IUPAC[7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESCC(C)(C)c1cccc(-c2ccc3c(c2)OCCC3OC(N)=O)c1
InChIInChI=1S/C20H23NO3/c1-20(2,3)15-6-4-5-13(11-15)14-7-8-16-17(24-19(21)22)9-10-23-18(16)12-14/h4-8,11-12,17H,9-10H2,1-3H3,(H2,21,22)
InChIKeyMNUZUMWGJCWECM-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.57
Rot. Bonds2

About [7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate

[7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate (PubChem CID 175254109) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
PubChem CID175254109
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESCC(C)(C)c1cccc(-c2ccc3c(c2)OCCC3OC(N)=O)c1
InChIInChI=1S/C20H23NO3/c1-20(2,3)15-6-4-5-13(11-15)14-7-8-16-17(24-19(21)22)9-10-23-18(16)12-14/h4-8,11-12,17H,9-10H2,1-3H3,(H2,21,22)
InChIKeyMNUZUMWGJCWECM-UHFFFAOYSA-N
XLogP4.57
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The IUPAC name of [7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate (CID 175254109) is [7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate.
What is the SMILES notation for [7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The canonical SMILES for [7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate is CC(C)(C)c1cccc(-c2ccc3c(c2)OCCC3OC(N)=O)c1.
What is the InChIKey of [7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The InChIKey is MNUZUMWGJCWECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)15-6-4-5-13(11-15)14-7-8-16-17(24-19(21)22)9-10-23-18(16)12-14/h4-8,11-12,17H,9-10H2,1-3H3,(H2,21,22).
What are the key properties of [7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
[7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate has a molecular weight of 325.41 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate is sourced from PubChem (CID 175254109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).