1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol

C11H12O — CID 11789506

IUPAC1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol
SMILESOC12Cc3ccccc3CC1C2
InChIInChI=1S/C11H12O/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-11/h1-4,10,12H,5-7H2
InChIKeyBMMIWVJQOFQKHQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.54
Rot. Bonds

About 1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol

1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol (PubChem CID 11789506) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol.

Molecular Properties

Compound Name1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol
PubChem CID11789506
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol
SMILESOC12Cc3ccccc3CC1C2
InChIInChI=1S/C11H12O/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-11/h1-4,10,12H,5-7H2
InChIKeyBMMIWVJQOFQKHQ-UHFFFAOYSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11148036
(1R,7S,16R,22S)-31,32-dimethylheptacyclo[20.8.1.17,16.03,20.05,18.09,14.024,29]dotriaconta-3,5(18),9,11,13,19,24,26,28-nonaene-31,32-diol
CID 15831265
2-(oxan-3-yl)-1,3-dihydroinden-2-ol
CID 107135477
(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
CID 89278768
(2R,2aR,7aR)-7a-hydroxy-1,2,2a,7-tetrahydrocyclobuta[a]indene-2-carbonitrile
CID 10241516
CID 101167428
CID 101167428
2-(dibromomethyl)-1,3-dihydroinden-2-ol
CID 72793193
3-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 18936951
1-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 174888924
13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol
CID 104737683
(3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one
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Frequently Asked Questions

What is the IUPAC name of 1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol?
The IUPAC name of 1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol (CID 11789506) is 1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol.
What is the SMILES notation for 1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol?
The canonical SMILES for 1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol is OC12Cc3ccccc3CC1C2.
What is the InChIKey of 1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol?
The InChIKey is BMMIWVJQOFQKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-11/h1-4,10,12H,5-7H2.
What are the key properties of 1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol?
1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol has a molecular weight of 160.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7,7a-tetrahydrocyclopropa[b]naphthalen-1a-ol is sourced from PubChem (CID 11789506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).