3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

C15H21NO3 — CID 106126397

IUPAC3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCC1CCC(O)CC1
InChIInChI=1S/C15H21NO3/c17-11-3-1-10(2-4-11)8-16-14-9-19-15-7-12(18)5-6-13(14)15/h5-7,10-11,14,16-18H,1-4,8-9H2
InChIKeyGUBVOTAWOAWDIF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.97
Rot. Bonds3

About 3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 106126397) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID106126397
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCC1CCC(O)CC1
InChIInChI=1S/C15H21NO3/c17-11-3-1-10(2-4-11)8-16-14-9-19-15-7-12(18)5-6-13(14)15/h5-7,10-11,14,16-18H,1-4,8-9H2
InChIKeyGUBVOTAWOAWDIF-UHFFFAOYSA-N
XLogP1.97
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43298363
3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 54906974
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825
3-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 64548395
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 82942372
3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43195906
3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62693908
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol
CID 83229034
3-(3-methylsulfanylpropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 63982077
3-(3-propan-2-yloxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43207441

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 106126397) is 3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2NCC1CCC(O)CC1.
What is the InChIKey of 3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is GUBVOTAWOAWDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-11-3-1-10(2-4-11)8-16-14-9-19-15-7-12(18)5-6-13(14)15/h5-7,10-11,14,16-18H,1-4,8-9H2.
What are the key properties of 3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 263.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 106126397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).