3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol

C18H26O2 — CID 63427036

IUPAC3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
SMILESOC(CCC1CCCCC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H26O2/c19-17(10-8-14-5-2-1-3-6-14)15-9-11-18-16(13-15)7-4-12-20-18/h9,11,13-14,17,19H,1-8,10,12H2
InChIKeyMTKKSKSWRPSPQW-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.41
Rot. Bonds4

About 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol

3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol (PubChem CID 63427036) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
PubChem CID63427036
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
SMILESOC(CCC1CCCCC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H26O2/c19-17(10-8-14-5-2-1-3-6-14)15-9-11-18-16(13-15)7-4-12-20-18/h9,11,13-14,17,19H,1-8,10,12H2
InChIKeyMTKKSKSWRPSPQW-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 61087676
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
CID 114458684
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 61080781
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
5-(1-bromo-2-cycloheptylethyl)-2,3-dihydro-1-benzofuran
CID 114458706
1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62538318
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol?
The IUPAC name of 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol (CID 63427036) is 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol is OC(CCC1CCCCC1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol?
The InChIKey is MTKKSKSWRPSPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c19-17(10-8-14-5-2-1-3-6-14)15-9-11-18-16(13-15)7-4-12-20-18/h9,11,13-14,17,19H,1-8,10,12H2.
What are the key properties of 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol?
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol has a molecular weight of 274.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol is sourced from PubChem (CID 63427036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).