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

C14H13BrOS — CID 79595043

IUPAC2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(c2cscc2Br)CCc2ccccc2C1
InChIInChI=1S/C14H13BrOS/c15-13-9-17-8-12(13)14(16)6-5-10-3-1-2-4-11(10)7-14/h1-4,8-9,16H,5-7H2
InChIKeyKWHZKGJNAYZCNP-UHFFFAOYSA-N
MW309.23 g/mol
LogP3.89
Rot. Bonds1

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

2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 79595043) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID79595043
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(c2cscc2Br)CCc2ccccc2C1
InChIInChI=1S/C14H13BrOS/c15-13-9-17-8-12(13)14(16)6-5-10-3-1-2-4-11(10)7-14/h1-4,8-9,16H,5-7H2
InChIKeyKWHZKGJNAYZCNP-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol (CID 79595043) is 2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol is OC1(c2cscc2Br)CCc2ccccc2C1.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is KWHZKGJNAYZCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c15-13-9-17-8-12(13)14(16)6-5-10-3-1-2-4-11(10)7-14/h1-4,8-9,16H,5-7H2.
What are the key properties of 2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol?
2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 309.23 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 79595043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).