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

C15H15ClOS — CID 61084680

IUPAC6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
SMILESCc1ccsc1C(Cl)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H15ClOS/c1-10-6-8-18-15(10)14(16)12-4-5-13-11(9-12)3-2-7-17-13/h4-6,8-9,14H,2-3,7H2,1H3
InChIKeyBFCBXLMZGDQNLN-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.71
Rot. Bonds2

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

6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 61084680) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
PubChem CID61084680
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
SMILESCc1ccsc1C(Cl)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H15ClOS/c1-10-6-8-18-15(10)14(16)12-4-5-13-11(9-12)3-2-7-17-13/h4-6,8-9,14H,2-3,7H2,1H3
InChIKeyBFCBXLMZGDQNLN-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.71
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-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187
5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79975052
6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084871
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methyl]ethanamine
CID 80643911
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985465
6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435190
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429924
6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435317

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene (CID 61084680) is 6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene is Cc1ccsc1C(Cl)c1ccc2c(c1)CCCO2.
What is the InChIKey of 6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is BFCBXLMZGDQNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-10-6-8-18-15(10)14(16)12-4-5-13-11(9-12)3-2-7-17-13/h4-6,8-9,14H,2-3,7H2,1H3.
What are the key properties of 6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene?
6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 278.80 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 61084680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).