3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol

C19H26O2 — CID 104769260

IUPAC3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol
SMILESOC1(CC2CCOc3ccccc32)CCCC(C2CC2)C1
InChIInChI=1S/C19H26O2/c20-19(10-3-4-15(12-19)14-7-8-14)13-16-9-11-21-18-6-2-1-5-17(16)18/h1-2,5-6,14-16,20H,3-4,7-13H2
InChIKeyOUESGJMHVONQED-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.27
Rot. Bonds3

About 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol

3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol (PubChem CID 104769260) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol
PubChem CID104769260
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol
SMILESOC1(CC2CCOc3ccccc32)CCCC(C2CC2)C1
InChIInChI=1S/C19H26O2/c20-19(10-3-4-15(12-19)14-7-8-14)13-16-9-11-21-18-6-2-1-5-17(16)18/h1-2,5-6,14-16,20H,3-4,7-13H2
InChIKeyOUESGJMHVONQED-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 104769272
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol
CID 104769259
4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol
CID 104769267
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol
CID 104772399
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936462
3-cyclopropyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65154108
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 104768402

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol (CID 104769260) is 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol is OC1(CC2CCOc3ccccc32)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is OUESGJMHVONQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c20-19(10-3-4-15(12-19)14-7-8-14)13-16-9-11-21-18-6-2-1-5-17(16)18/h1-2,5-6,14-16,20H,3-4,7-13H2.
What are the key properties of 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol?
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 286.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 104769260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).