6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol

C14H13ClO2 — CID 117374951

IUPAC6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
SMILESOc1cc2ccc(Cl)cc2cc1CC1(O)CC1
InChIInChI=1S/C14H13ClO2/c15-12-2-1-9-7-13(16)11(5-10(9)6-12)8-14(17)3-4-14/h1-2,5-7,16-17H,3-4,8H2
InChIKeyDOPWIZUBRJBKDH-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.27
Rot. Bonds2

About 6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol

6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol (PubChem CID 117374951) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
PubChem CID117374951
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
SMILESOc1cc2ccc(Cl)cc2cc1CC1(O)CC1
InChIInChI=1S/C14H13ClO2/c15-12-2-1-9-7-13(16)11(5-10(9)6-12)8-14(17)3-4-14/h1-2,5-7,16-17H,3-4,8H2
InChIKeyDOPWIZUBRJBKDH-UHFFFAOYSA-N
XLogP3.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
CID 117408877
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
4-chloro-2-fluoro-6-[(1-hydroxycyclopropyl)methyl]phenol
CID 117308613
4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid
CID 117416110
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117322636
4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol
CID 117354218
7-chloro-3-methylnaphthalen-2-ol
CID 20595192
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117297255
3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol
CID 117304411
1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol
CID 162351024
4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol?
The IUPAC name of 6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol (CID 117374951) is 6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol?
The canonical SMILES for 6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol is Oc1cc2ccc(Cl)cc2cc1CC1(O)CC1.
What is the InChIKey of 6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol?
The InChIKey is DOPWIZUBRJBKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c15-12-2-1-9-7-13(16)11(5-10(9)6-12)8-14(17)3-4-14/h1-2,5-7,16-17H,3-4,8H2.
What are the key properties of 6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol?
6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol has a molecular weight of 248.71 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 117374951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).