2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol

C12H13ClO — CID 11600917

IUPAC2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol
SMILESOCCC1=CCCc2c(Cl)cccc21
InChIInChI=1S/C12H13ClO/c13-12-6-2-4-10-9(7-8-14)3-1-5-11(10)12/h2-4,6,14H,1,5,7-8H2
InChIKeyOJABSVXYVTWBFT-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.05
Rot. Bonds2

About 2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol

2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol (PubChem CID 11600917) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol
PubChem CID11600917
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol
SMILESOCCC1=CCCc2c(Cl)cccc21
InChIInChI=1S/C12H13ClO/c13-12-6-2-4-10-9(7-8-14)3-1-5-11(10)12/h2-4,6,14H,1,5,7-8H2
InChIKeyOJABSVXYVTWBFT-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol?
The IUPAC name of 2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol (CID 11600917) is 2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol?
The canonical SMILES for 2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol is OCCC1=CCCc2c(Cl)cccc21.
What is the InChIKey of 2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol?
The InChIKey is OJABSVXYVTWBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-12-6-2-4-10-9(7-8-14)3-1-5-11(10)12/h2-4,6,14H,1,5,7-8H2.
What are the key properties of 2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol?
2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol has a molecular weight of 208.69 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol is sourced from PubChem (CID 11600917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).