1-chloro-8-deuterionaphthalen-2-ol

C10H7ClO — CID 175777317

IUPAC1-chloro-8-deuterionaphthalen-2-ol
SMILES[2H]c1cccc2ccc(O)c(Cl)c12
InChIInChI=1S/C10H7ClO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H/i4D
InChIKeyRMSOEGBYNWXXBG-QYKNYGDISA-N
MW179.62 g/mol
LogP3.20
Rot. Bonds

About 1-chloro-8-deuterionaphthalen-2-ol

1-chloro-8-deuterionaphthalen-2-ol (PubChem CID 175777317) has the molecular formula C10H7ClO and a molecular weight of 179.62 g/mol. Its IUPAC name is 1-chloro-8-deuterionaphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-8-deuterionaphthalen-2-ol
PubChem CID175777317
Molecular FormulaC10H7ClO
Molecular Weight179.62 g/mol
Exact Mass179.02
IUPAC Name1-chloro-8-deuterionaphthalen-2-ol
SMILES[2H]c1cccc2ccc(O)c(Cl)c12
InChIInChI=1S/C10H7ClO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H/i4D
InChIKeyRMSOEGBYNWXXBG-QYKNYGDISA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.62
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dideuteriophenanthrene
CID 152551640
1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol
CID 161098712
3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium
CID 88689430
1-iodonaphthalen-2-ol
CID 16250
1-fluoronaphthalen-2-ol
CID 11094948
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
1-chloro-6-methylnaphthalen-2-ol
CID 90360576
6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol
CID 21075903
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
2-chloro-4-(2-chloronaphthalen-1-yl)phenol
CID 174790490
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260

Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-deuterionaphthalen-2-ol?
The IUPAC name of 1-chloro-8-deuterionaphthalen-2-ol (CID 175777317) is 1-chloro-8-deuterionaphthalen-2-ol.
What is the SMILES notation for 1-chloro-8-deuterionaphthalen-2-ol?
The canonical SMILES for 1-chloro-8-deuterionaphthalen-2-ol is [2H]c1cccc2ccc(O)c(Cl)c12.
What is the InChIKey of 1-chloro-8-deuterionaphthalen-2-ol?
The InChIKey is RMSOEGBYNWXXBG-QYKNYGDISA-N. The full InChI is InChI=1S/C10H7ClO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H/i4D.
What are the key properties of 1-chloro-8-deuterionaphthalen-2-ol?
1-chloro-8-deuterionaphthalen-2-ol has a molecular weight of 179.62 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-deuterionaphthalen-2-ol is sourced from PubChem (CID 175777317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).