[1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol

C13H14O2 — CID 139907467

IUPAC[1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol
SMILESOCC1=Cc2ccccc2C2CC12CO
InChIInChI=1S/C13H14O2/c14-7-10-5-9-3-1-2-4-11(9)12-6-13(10,12)8-15/h1-5,12,14-15H,6-8H2
InChIKeyBHANTTLYFJHVTE-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.54
Rot. Bonds2

About [1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol

[1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol (PubChem CID 139907467) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is [1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol
PubChem CID139907467
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name[1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol
SMILESOCC1=Cc2ccccc2C2CC12CO
InChIInChI=1S/C13H14O2/c14-7-10-5-9-3-1-2-4-11(9)12-6-13(10,12)8-15/h1-5,12,14-15H,6-8H2
InChIKeyBHANTTLYFJHVTE-UHFFFAOYSA-N
XLogP1.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol
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(7b-methyl-1,1a-dihydrocyclopropa[a]naphthalen-2-yl)methanol
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[(1R,2S)-3-methoxy-2-methyl-1-propan-2-yl-1H-naphthalen-2-yl]methanol
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3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of [1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol?
The IUPAC name of [1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol (CID 139907467) is [1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol.
What is the SMILES notation for [1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol?
The canonical SMILES for [1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol is OCC1=Cc2ccccc2C2CC12CO.
What is the InChIKey of [1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol?
The InChIKey is BHANTTLYFJHVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-7-10-5-9-3-1-2-4-11(9)12-6-13(10,12)8-15/h1-5,12,14-15H,6-8H2.
What are the key properties of [1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol?
[1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol has a molecular weight of 202.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1a-(hydroxymethyl)-1,7b-dihydrocyclopropa[a]naphthalen-2-yl]methanol is sourced from PubChem (CID 139907467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).