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

C14H13ClOS — CID 61084871

IUPAC6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
SMILESClC(c1ccsc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H13ClOS/c15-14(12-5-7-17-9-12)11-3-4-13-10(8-11)2-1-6-16-13/h3-5,7-9,14H,1-2,6H2
InChIKeyHDJBTURFHWAMBX-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.40
Rot. Bonds2

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

6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 61084871) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
PubChem CID61084871
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
SMILESClC(c1ccsc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H13ClOS/c15-14(12-5-7-17-9-12)11-3-4-13-10(8-11)2-1-6-16-13/h3-5,7-9,14H,1-2,6H2
InChIKeyHDJBTURFHWAMBX-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.40
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-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61098210
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
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
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084680
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62842384
6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435317
6-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 63434925

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene (CID 61084871) is 6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene is ClC(c1ccsc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is HDJBTURFHWAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c15-14(12-5-7-17-9-12)11-3-4-13-10(8-11)2-1-6-16-13/h3-5,7-9,14H,1-2,6H2.
What are the key properties of 6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene?
6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 264.78 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 61084871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).