cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol

C16H22O2 — CID 105100583

IUPACcyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol
SMILESOC(C1CCCCC1)C1OCCc2ccccc21
InChIInChI=1S/C16H22O2/c17-15(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-18-16/h4-6,9,13,15-17H,1-3,7-8,10-11H2
InChIKeyNTLDOIHVOMDJMZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.24
Rot. Bonds2

About cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol

cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol (PubChem CID 105100583) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol.

Molecular Properties

Compound Namecyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol
PubChem CID105100583
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namecyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol
SMILESOC(C1CCCCC1)C1OCCc2ccccc21
InChIInChI=1S/C16H22O2/c17-15(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-18-16/h4-6,9,13,15-17H,1-3,7-8,10-11H2
InChIKeyNTLDOIHVOMDJMZ-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105135467
N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine
CID 105080766
3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
CID 15526486
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol
CID 115802125
[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine
CID 114984729
2-cyclopentyl-3-(3,4-dihydro-1H-isochromen-1-yl)propanoic acid
CID 115926238
(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7378858
3-cyclopropyl-1-(3,4-dihydro-1H-isochromen-1-yl)butan-2-ol
CID 115809715
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-[(1E)-cycloocten-1-yl]-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 106656386
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol?
The IUPAC name of cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol (CID 105100583) is cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol.
What is the SMILES notation for cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol?
The canonical SMILES for cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol is OC(C1CCCCC1)C1OCCc2ccccc21.
What is the InChIKey of cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol?
The InChIKey is NTLDOIHVOMDJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-15(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-18-16/h4-6,9,13,15-17H,1-3,7-8,10-11H2.
What are the key properties of cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol?
cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol has a molecular weight of 246.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol is sourced from PubChem (CID 105100583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).