6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene

C16H14Cl2O — CID 63434966

IUPAC6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESClc1ccc(C(Cl)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C16H14Cl2O/c17-14-6-3-11(4-7-14)16(18)13-5-8-15-12(10-13)2-1-9-19-15/h3-8,10,16H,1-2,9H2
InChIKeyVRQGAQZKDCBWBS-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.99
Rot. Bonds2

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

6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 63434966) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID63434966
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESClc1ccc(C(Cl)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C16H14Cl2O/c17-14-6-3-11(4-7-14)16(18)13-5-8-15-12(10-13)2-1-9-19-15/h3-8,10,16H,1-2,9H2
InChIKeyVRQGAQZKDCBWBS-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435317
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084871
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 61080781
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187
6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434838
6-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 63434925
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene (CID 63434966) is 6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene is Clc1ccc(C(Cl)c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is VRQGAQZKDCBWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c17-14-6-3-11(4-7-14)16(18)13-5-8-15-12(10-13)2-1-9-19-15/h3-8,10,16H,1-2,9H2.
What are the key properties of 6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene?
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 293.19 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 63434966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).