3-(1-hydroxycyclopropyl)naphthalen-2-ol

C13H12O2 — CID 117289390

IUPAC3-(1-hydroxycyclopropyl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1C1(O)CC1
InChIInChI=1S/C13H12O2/c14-12-8-10-4-2-1-3-9(10)7-11(12)13(15)5-6-13/h1-4,7-8,14-15H,5-6H2
InChIKeyOUWVSCZCXADGEQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.53
Rot. Bonds1

About 3-(1-hydroxycyclopropyl)naphthalen-2-ol

3-(1-hydroxycyclopropyl)naphthalen-2-ol (PubChem CID 117289390) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(1-hydroxycyclopropyl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(1-hydroxycyclopropyl)naphthalen-2-ol
PubChem CID117289390
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name3-(1-hydroxycyclopropyl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1C1(O)CC1
InChIInChI=1S/C13H12O2/c14-12-8-10-4-2-1-3-9(10)7-11(12)13(15)5-6-13/h1-4,7-8,14-15H,5-6H2
InChIKeyOUWVSCZCXADGEQ-UHFFFAOYSA-N
XLogP2.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium naphthalene-2,3-diol
CID 23069442
naphthalene-2,3-diol;titanium
CID 87616563
3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol
CID 117304411
4-ethyl-2-(1-hydroxycyclopropyl)phenol
CID 117277828
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
1-(2-methylquinolin-4-yl)cyclopropan-1-ol
CID 62668956
1-[2-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117276392
3-aminoanthracen-2-ol
CID 22413182
2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol
CID 117328849
5-fluoro-2-(1-hydroxycyclopropyl)-4-methoxyphenol
CID 117287689
1-(2-phenylphenyl)cyclopropan-1-ol
CID 117300652
4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol
CID 117316123

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclopropyl)naphthalen-2-ol?
The IUPAC name of 3-(1-hydroxycyclopropyl)naphthalen-2-ol (CID 117289390) is 3-(1-hydroxycyclopropyl)naphthalen-2-ol.
What is the SMILES notation for 3-(1-hydroxycyclopropyl)naphthalen-2-ol?
The canonical SMILES for 3-(1-hydroxycyclopropyl)naphthalen-2-ol is Oc1cc2ccccc2cc1C1(O)CC1.
What is the InChIKey of 3-(1-hydroxycyclopropyl)naphthalen-2-ol?
The InChIKey is OUWVSCZCXADGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-12-8-10-4-2-1-3-9(10)7-11(12)13(15)5-6-13/h1-4,7-8,14-15H,5-6H2.
What are the key properties of 3-(1-hydroxycyclopropyl)naphthalen-2-ol?
3-(1-hydroxycyclopropyl)naphthalen-2-ol has a molecular weight of 200.24 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclopropyl)naphthalen-2-ol is sourced from PubChem (CID 117289390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).