1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol

C13H13ClO2 — CID 162345502

IUPAC1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol
SMILESCOc1cc(Cl)c2cc(C(C)O)ccc2c1
InChIInChI=1S/C13H13ClO2/c1-8(15)9-3-4-10-5-11(16-2)7-13(14)12(10)6-9/h3-8,15H,1-2H3
InChIKeySNGPXUXXHMWNQR-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.56
Rot. Bonds2

About 1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol

1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol (PubChem CID 162345502) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol
PubChem CID162345502
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol
SMILESCOc1cc(Cl)c2cc(C(C)O)ccc2c1
InChIInChI=1S/C13H13ClO2/c1-8(15)9-3-4-10-5-11(16-2)7-13(14)12(10)6-9/h3-8,15H,1-2H3
InChIKeySNGPXUXXHMWNQR-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol?
The IUPAC name of 1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol (CID 162345502) is 1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol is COc1cc(Cl)c2cc(C(C)O)ccc2c1.
What is the InChIKey of 1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol?
The InChIKey is SNGPXUXXHMWNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-8(15)9-3-4-10-5-11(16-2)7-13(14)12(10)6-9/h3-8,15H,1-2H3.
What are the key properties of 1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol?
1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol has a molecular weight of 236.70 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-6-methoxynaphthalen-2-yl)ethanol is sourced from PubChem (CID 162345502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).