1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol

C14H13ClOS — CID 107358956

IUPAC1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(c2sccc2Cl)CCCc2ccccc21
InChIInChI=1S/C14H13ClOS/c15-12-7-9-17-13(12)14(16)8-3-5-10-4-1-2-6-11(10)14/h1-2,4,6-7,9,16H,3,5,8H2
InChIKeyNIWRDKVPBKECJJ-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.97
Rot. Bonds1

About 1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol

1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 107358956) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID107358956
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(c2sccc2Cl)CCCc2ccccc21
InChIInChI=1S/C14H13ClOS/c15-12-7-9-17-13(12)14(16)8-3-5-10-4-1-2-6-11(10)14/h1-2,4,6-7,9,16H,3,5,8H2
InChIKeyNIWRDKVPBKECJJ-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105393720
2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
CID 107431968
5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60865693
1-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 54356816
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
1-(3,4-dihydro-2H-chromen-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 114743136
1-(3-chlorothiophen-2-yl)cycloheptan-1-ol
CID 107358955
1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 12840344
1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 107359302
1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 104514437
1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 112749484
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol (CID 107358956) is 1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol is OC1(c2sccc2Cl)CCCc2ccccc21.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is NIWRDKVPBKECJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c15-12-7-9-17-13(12)14(16)8-3-5-10-4-1-2-6-11(10)14/h1-2,4,6-7,9,16H,3,5,8H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol?
1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 264.78 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 107358956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).