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

C14H13BrO2 — CID 117473030

IUPAC6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1CC1(O)CC1
InChIInChI=1S/C14H13BrO2/c15-10-2-3-11-9(7-10)1-4-13(16)12(11)8-14(17)5-6-14/h1-4,7,16-17H,5-6,8H2
InChIKeyDDXIPOBKIYMQQY-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.38
Rot. Bonds2

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

6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol (PubChem CID 117473030) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
PubChem CID117473030
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1CC1(O)CC1
InChIInChI=1S/C14H13BrO2/c15-10-2-3-11-9(7-10)1-4-13(16)12(11)8-14(17)5-6-14/h1-4,7,16-17H,5-6,8H2
InChIKeyDDXIPOBKIYMQQY-UHFFFAOYSA-N
XLogP3.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-bromo-2-hydroxynaphthalen-1-yl)propanal
CID 117447356
1-benzyl-6-bromonaphthalen-2-ol
CID 132564991
6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
CID 2480255
1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid
CID 117492146
4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117406412
1-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]ethanone
CID 7999606
1,6-dibromonaphthalen-2-ol;sulfur dioxide
CID 70231756
6-bromo-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol
CID 9280219
1-[4-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone
CID 2470381
2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide
CID 9285985
7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11189978
1-[(4-benzhydrylpiperazin-1-yl)methyl]-6-bromonaphthalen-2-ol
CID 2419105

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol?
The IUPAC name of 6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol (CID 117473030) is 6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol is Oc1ccc2cc(Br)ccc2c1CC1(O)CC1.
What is the InChIKey of 6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol?
The InChIKey is DDXIPOBKIYMQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c15-10-2-3-11-9(7-10)1-4-13(16)12(11)8-14(17)5-6-14/h1-4,7,16-17H,5-6,8H2.
What are the key properties of 6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol?
6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol has a molecular weight of 293.16 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 117473030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).