3-chloronaphthalen-1-ol

C10H7ClO — CID 23423080

IUPAC3-chloronaphthalen-1-ol
SMILESOc1cc(Cl)cc2ccccc12
InChIInChI=1S/C10H7ClO/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,12H
InChIKeyQIYQXBXAXLIEQQ-UHFFFAOYSA-N
MW178.62 g/mol
LogP3.20
Rot. Bonds

About 3-chloronaphthalen-1-ol

3-chloronaphthalen-1-ol (PubChem CID 23423080) has the molecular formula C10H7ClO and a molecular weight of 178.62 g/mol. Its IUPAC name is 3-chloronaphthalen-1-ol.

Molecular Properties

Compound Name3-chloronaphthalen-1-ol
PubChem CID23423080
Molecular FormulaC10H7ClO
Molecular Weight178.62 g/mol
Exact Mass178.02
IUPAC Name3-chloronaphthalen-1-ol
SMILESOc1cc(Cl)cc2ccccc12
InChIInChI=1S/C10H7ClO/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,12H
InChIKeyQIYQXBXAXLIEQQ-UHFFFAOYSA-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 ≤ 500178.62
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloronaphthalen-1-yl)ethanol
CID 121007557
3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
CID 23311022
4-hydroxynaphthalene-2-carbaldehyde
CID 22498210
3-chloronaphthalene-1-carbaldehyde
CID 18673614
3-(difluoromethyl)naphthalen-1-ol
CID 118820473
6,8-dichloronaphthalen-1-ol
CID 150488355
2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone
CID 131852255
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol
CID 135727362
chloromethane;ethane;naphthalen-1-ol
CID 144848699
1-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 57137470

Frequently Asked Questions

What is the IUPAC name of 3-chloronaphthalen-1-ol?
The IUPAC name of 3-chloronaphthalen-1-ol (CID 23423080) is 3-chloronaphthalen-1-ol.
What is the SMILES notation for 3-chloronaphthalen-1-ol?
The canonical SMILES for 3-chloronaphthalen-1-ol is Oc1cc(Cl)cc2ccccc12.
What is the InChIKey of 3-chloronaphthalen-1-ol?
The InChIKey is QIYQXBXAXLIEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,12H.
What are the key properties of 3-chloronaphthalen-1-ol?
3-chloronaphthalen-1-ol has a molecular weight of 178.62 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 3-chloronaphthalen-1-ol is sourced from PubChem (CID 23423080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).