2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene

C17H19ClS — CID 66036104

IUPAC2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
SMILESClCC1(CCc2cccs2)CCCc2ccccc21
InChIInChI=1S/C17H19ClS/c18-13-17(11-9-15-7-4-12-19-15)10-3-6-14-5-1-2-8-16(14)17/h1-2,4-5,7-8,12H,3,6,9-11,13H2
InChIKeyBCUFHCMEQVWMBP-UHFFFAOYSA-N
MW290.86 g/mol
LogP5.19
Rot. Bonds4

About 2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene

2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene (PubChem CID 66036104) has the molecular formula C17H19ClS and a molecular weight of 290.86 g/mol. Its IUPAC name is 2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene.

Molecular Properties

Compound Name2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
PubChem CID66036104
Molecular FormulaC17H19ClS
Molecular Weight290.86 g/mol
Exact Mass290.09
IUPAC Name2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
SMILESClCC1(CCc2cccs2)CCCc2ccccc21
InChIInChI=1S/C17H19ClS/c18-13-17(11-9-15-7-4-12-19-15)10-3-6-14-5-1-2-8-16(14)17/h1-2,4-5,7-8,12H,3,6,9-11,13H2
InChIKeyBCUFHCMEQVWMBP-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.86
LogP ≤ 55.19
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

3-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66033638
[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl-trimethylsilane
CID 106324106
1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43527448
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66036109
3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66049211
1-(thiophen-2-ylmethylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 54886964
4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene
CID 103184988
4-(chloromethyl)-4-(2-propylsulfonylethyl)-2,3-dihydro-1H-naphthalene
CID 106734497
4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66036331
2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
CID 66036450
5-(thiophen-2-ylmethylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61001699

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene?
The IUPAC name of 2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene (CID 66036104) is 2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene.
What is the SMILES notation for 2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene?
The canonical SMILES for 2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene is ClCC1(CCc2cccs2)CCCc2ccccc21.
What is the InChIKey of 2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene?
The InChIKey is BCUFHCMEQVWMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClS/c18-13-17(11-9-15-7-4-12-19-15)10-3-6-14-5-1-2-8-16(14)17/h1-2,4-5,7-8,12H,3,6,9-11,13H2.
What are the key properties of 2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene?
2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene has a molecular weight of 290.86 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene is sourced from PubChem (CID 66036104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).