6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene

C18H19ClO2 — CID 63435190

IUPAC6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCOc1ccc(C)cc1C(Cl)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H19ClO2/c1-12-5-7-17(20-2)15(10-12)18(19)14-6-8-16-13(11-14)4-3-9-21-16/h5-8,10-11,18H,3-4,9H2,1-2H3
InChIKeyISRPPLKLSGKGGR-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.66
Rot. Bonds3

About 6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene

6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 63435190) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID63435190
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCOc1ccc(C)cc1C(Cl)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H19ClO2/c1-12-5-7-17(20-2)15(10-12)18(19)14-6-8-16-13(11-14)4-3-9-21-16/h5-8,10-11,18H,3-4,9H2,1-2H3
InChIKeyISRPPLKLSGKGGR-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 63434925
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922
6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61097211
6-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 62920915
6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435317
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine
CID 106791668
6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene
CID 145129554
5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63444363
6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434838

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene (CID 63435190) is 6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene is COc1ccc(C)cc1C(Cl)c1ccc2c(c1)CCCO2.
What is the InChIKey of 6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is ISRPPLKLSGKGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-12-5-7-17(20-2)15(10-12)18(19)14-6-8-16-13(11-14)4-3-9-21-16/h5-8,10-11,18H,3-4,9H2,1-2H3.
What are the key properties of 6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene?
6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 302.80 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 63435190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).