1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol

C18H26O2 — CID 104769305

IUPAC1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
SMILESOC(CC1CCCCC1)CC1CCOc2ccccc21
InChIInChI=1S/C18H26O2/c19-16(12-14-6-2-1-3-7-14)13-15-10-11-20-18-9-5-4-8-17(15)18/h4-5,8-9,14-16,19H,1-3,6-7,10-13H2
InChIKeyLJLXRUXYKWXXKA-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.27
Rot. Bonds4

About 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol

1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol (PubChem CID 104769305) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
PubChem CID104769305
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
SMILESOC(CC1CCCCC1)CC1CCOc2ccccc21
InChIInChI=1S/C18H26O2/c19-16(12-14-6-2-1-3-7-14)13-15-10-11-20-18-9-5-4-8-17(15)18/h4-5,8-9,14-16,19H,1-3,6-7,10-13H2
InChIKeyLJLXRUXYKWXXKA-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 115831957
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine
CID 104771828
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propane-1,2-diol
CID 113451136
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol?
The IUPAC name of 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol (CID 104769305) is 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol is OC(CC1CCCCC1)CC1CCOc2ccccc21.
What is the InChIKey of 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol?
The InChIKey is LJLXRUXYKWXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c19-16(12-14-6-2-1-3-7-14)13-15-10-11-20-18-9-5-4-8-17(15)18/h4-5,8-9,14-16,19H,1-3,6-7,10-13H2.
What are the key properties of 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol?
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol is sourced from PubChem (CID 104769305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).