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

C19H20FNO3 — CID 175252936

IUPAC[7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCc1cc(F)ccc1-c1ccc2c(c1)OCC(C)(C)C2OC(N)=O
InChIInChI=1S/C19H20FNO3/c1-11-8-13(20)5-7-14(11)12-4-6-15-16(9-12)23-10-19(2,3)17(15)24-18(21)22/h4-9,17H,10H2,1-3H3,(H2,21,22)
InChIKeyNEOPDUPYPJADRQ-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.36
Rot. Bonds2

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

[7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175252936) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is [7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175252936
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name[7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCc1cc(F)ccc1-c1ccc2c(c1)OCC(C)(C)C2OC(N)=O
InChIInChI=1S/C19H20FNO3/c1-11-8-13(20)5-7-14(11)12-4-6-15-16(9-12)23-10-19(2,3)17(15)24-18(21)22/h4-9,17H,10H2,1-3H3,(H2,21,22)
InChIKeyNEOPDUPYPJADRQ-UHFFFAOYSA-N
XLogP4.36
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate with MolForge

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Related Compounds

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[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate
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[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate
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[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-(trifluoromethyl)phenyl] N-methylcarbamate
CID 122649557
5-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-chromene
CID 139563084
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CID 139563209
[2-Phenyl-3-[3-(trifluoromethyl)phenoxy]hexyl] carbamate
CID 140393748
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CID 141419867

Frequently Asked Questions

What is the IUPAC name of [7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175252936) is [7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is Cc1cc(F)ccc1-c1ccc2c(c1)OCC(C)(C)C2OC(N)=O.
What is the InChIKey of [7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is NEOPDUPYPJADRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-11-8-13(20)5-7-14(11)12-4-6-15-16(9-12)23-10-19(2,3)17(15)24-18(21)22/h4-9,17H,10H2,1-3H3,(H2,21,22).
What are the key properties of [7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 329.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-fluoro-2-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175252936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).