1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol

C18H24O — CID 115802125

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol
SMILESOC(C1CCCCC1)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H24O/c19-18(13-7-2-1-3-8-13)17-15-11-10-12-6-4-5-9-14(12)16(15)17/h4-6,9,13,15-19H,1-3,7-8,10-11H2
InChIKeyXMFWJQKXAKFBMB-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.90
Rot. Bonds2

About 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol (PubChem CID 115802125) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol
PubChem CID115802125
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol
SMILESOC(C1CCCCC1)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H24O/c19-18(13-7-2-1-3-8-13)17-15-11-10-12-6-4-5-9-14(12)16(15)17/h4-6,9,13,15-19H,1-3,7-8,10-11H2
InChIKeyXMFWJQKXAKFBMB-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-ethylcyclohexyl)methanol
CID 115807350
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclobutyl)methyl]hydrazine
CID 105340121
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 104986364
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105313542
cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 105100583
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
CID 115779942
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-methylpentan-1-ol
CID 115789319
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-methylpent-4-en-1-ol
CID 115834493
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-ol
CID 115784012
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(furan-3-yl)ethanol
CID 115830319
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846708

Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol (CID 115802125) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol is OC(C1CCCCC1)C1C2CCc3ccccc3C21.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol?
The InChIKey is XMFWJQKXAKFBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c19-18(13-7-2-1-3-8-13)17-15-11-10-12-6-4-5-9-14(12)16(15)17/h4-6,9,13,15-19H,1-3,7-8,10-11H2.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol has a molecular weight of 256.39 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol is sourced from PubChem (CID 115802125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).