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

C24H23NO3 — CID 175254067

IUPAC[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate
SMILESCC1(C)COc2cc(-c3cccc(-c4ccccc4)c3)ccc2C1OC(N)=O
InChIInChI=1S/C24H23NO3/c1-24(2)15-27-21-14-19(11-12-20(21)22(24)28-23(25)26)18-10-6-9-17(13-18)16-7-4-3-5-8-16/h3-14,22H,15H2,1-2H3,(H2,25,26)
InChIKeyQFYUADSBUQXZMJ-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.58
Rot. Bonds3

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

[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175254067) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175254067
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate
SMILESCC1(C)COc2cc(-c3cccc(-c4ccccc4)c3)ccc2C1OC(N)=O
InChIInChI=1S/C24H23NO3/c1-24(2)15-27-21-14-19(11-12-20(21)22(24)28-23(25)26)18-10-6-9-17(13-18)16-7-4-3-5-8-16/h3-14,22H,15H2,1-2H3,(H2,25,26)
InChIKeyQFYUADSBUQXZMJ-UHFFFAOYSA-N
XLogP5.58
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253181
(3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253943
[7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252942
[7-(3-chloro-4-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252980
[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253132
[7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253075
(3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253946
[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253017
[7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253203
[7-(2-fluoro-6-methyl-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253227
[7-[(E)-2-(3-fluorophenyl)ethenyl]-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253151
[7-[2-chloro-5-(trifluoromethoxy)phenyl]-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252967

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate (CID 175254067) is [3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate is CC1(C)COc2cc(-c3cccc(-c4ccccc4)c3)ccc2C1OC(N)=O.
What is the InChIKey of [3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is QFYUADSBUQXZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-24(2)15-27-21-14-19(11-12-20(21)22(24)28-23(25)26)18-10-6-9-17(13-18)16-7-4-3-5-8-16/h3-14,22H,15H2,1-2H3,(H2,25,26).
What are the key properties of [3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate?
[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 373.45 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175254067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).