1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol

C19H26O2 — CID 115831957

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
SMILESOC(CC1CCOc2ccccc21)CC1CC2CCC1C2
InChIInChI=1S/C19H26O2/c20-17(12-16-10-13-5-6-14(16)9-13)11-15-7-8-21-19-4-2-1-3-18(15)19/h1-4,13-17,20H,5-12H2
InChIKeyLUELKUQSXBUWEL-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.13
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol (PubChem CID 115831957) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
PubChem CID115831957
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
SMILESOC(CC1CCOc2ccccc21)CC1CC2CCC1C2
InChIInChI=1S/C19H26O2/c20-17(12-16-10-13-5-6-14(16)9-13)11-15-7-8-21-19-4-2-1-3-18(15)19/h1-4,13-17,20H,5-12H2
InChIKeyLUELKUQSXBUWEL-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol
CID 63519467
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
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
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol (CID 115831957) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol is OC(CC1CCOc2ccccc21)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol?
The InChIKey is LUELKUQSXBUWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c20-17(12-16-10-13-5-6-14(16)9-13)11-15-7-8-21-19-4-2-1-3-18(15)19/h1-4,13-17,20H,5-12H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol has a molecular weight of 286.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol is sourced from PubChem (CID 115831957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).