5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane

C13H19ClO — CID 143804461

IUPAC5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
SMILESCCC.Cc1ccc2c(c1Cl)CCCO2
InChIInChI=1S/C10H11ClO.C3H8/c1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-3-2/h4-5H,2-3,6H2,1H3;3H2,1-2H3
InChIKeyLDWRQXFVCACVPM-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.39
Rot. Bonds

About 5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane

5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane (PubChem CID 143804461) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane.

Molecular Properties

Compound Name5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
PubChem CID143804461
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
SMILESCCC.Cc1ccc2c(c1Cl)CCCO2
InChIInChI=1S/C10H11ClO.C3H8/c1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-3-2/h4-5H,2-3,6H2,1H3;3H2,1-2H3
InChIKeyLDWRQXFVCACVPM-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-5-methyl-2,3-dihydro-1-benzofuran
CID 89474128
6,7-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;methane
CID 143804420
5-bromo-4-chloro-2,3-dihydro-1-benzofuran
CID 82374686
7-methyl-2,3,4,5-tetrahydro-1-benzoxepine-6-carbonitrile
CID 101424758
5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde
CID 139659158
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
4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran
CID 88975705
5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
CID 139790845
(5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol
CID 134205972
4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran
CID 159534872
oxolan-2-one;propane
CID 91446607
2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole
CID 156516405

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane?
The IUPAC name of 5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane (CID 143804461) is 5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane.
What is the SMILES notation for 5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane?
The canonical SMILES for 5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane is CCC.Cc1ccc2c(c1Cl)CCCO2.
What is the InChIKey of 5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane?
The InChIKey is LDWRQXFVCACVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO.C3H8/c1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-3-2/h4-5H,2-3,6H2,1H3;3H2,1-2H3.
What are the key properties of 5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane?
5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane has a molecular weight of 226.75 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane is sourced from PubChem (CID 143804461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).