2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene

C20H25FO — CID 142307080

IUPAC2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene
SMILESCCCc1ccc2c(c1)OCCC2.Cc1cccc(C)c1F
InChIInChI=1S/C12H16O.C8H9F/c1-2-4-10-6-7-11-5-3-8-13-12(11)9-10;1-6-4-3-5-7(2)8(6)9/h6-7,9H,2-5,8H2,1H3;3-5H,1-2H3
InChIKeyKZVKBBKRWZFQHX-UHFFFAOYSA-N
MW300.42 g/mol
LogP5.41
Rot. Bonds2

About 2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene

2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene (PubChem CID 142307080) has the molecular formula C20H25FO and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene
PubChem CID142307080
Molecular FormulaC20H25FO
Molecular Weight300.42 g/mol
Exact Mass300.19
IUPAC Name2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene
SMILESCCCc1ccc2c(c1)OCCC2.Cc1cccc(C)c1F
InChIInChI=1S/C12H16O.C8H9F/c1-2-4-10-6-7-11-5-3-8-13-12(11)9-10;1-6-4-3-5-7(2)8(6)9/h6-7,9H,2-5,8H2,1H3;3-5H,1-2H3
InChIKeyKZVKBBKRWZFQHX-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate
CID 105475566
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane
CID 143804569
1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane
CID 142954380
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
7-(4-methylphenyl)-3,4-dihydro-2H-chromene
CID 144987040
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 130750027
3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine
CID 123726273
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene?
The IUPAC name of 2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene (CID 142307080) is 2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene is CCCc1ccc2c(c1)OCCC2.Cc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene?
The InChIKey is KZVKBBKRWZFQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C8H9F/c1-2-4-10-6-7-11-5-3-8-13-12(11)9-10;1-6-4-3-5-7(2)8(6)9/h6-7,9H,2-5,8H2,1H3;3-5H,1-2H3.
What are the key properties of 2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene?
2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene has a molecular weight of 300.42 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 142307080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).