1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol

C16H22O3 — CID 103451616

IUPAC1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol
SMILESOC(c1cccc2c1OCCC2)C1(O)CCCCC1
InChIInChI=1S/C16H22O3/c17-15(16(18)9-2-1-3-10-16)13-8-4-6-12-7-5-11-19-14(12)13/h4,6,8,15,17-18H,1-3,5,7,9-11H2
InChIKeyIBNRBZUVXJRLKF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.74
Rot. Bonds2

About 1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol

1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol (PubChem CID 103451616) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol
PubChem CID103451616
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol
SMILESOC(c1cccc2c1OCCC2)C1(O)CCCCC1
InChIInChI=1S/C16H22O3/c17-15(16(18)9-2-1-3-10-16)13-8-4-6-12-7-5-11-19-14(12)13/h4,6,8,15,17-18H,1-3,5,7,9-11H2
InChIKeyIBNRBZUVXJRLKF-UHFFFAOYSA-N
XLogP2.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(1-phenylcyclopropyl)methanol
CID 114744527
2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol
CID 114744695
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine
CID 114745944
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 103451980
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol (CID 103451616) is 1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol is OC(c1cccc2c1OCCC2)C1(O)CCCCC1.
What is the InChIKey of 1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol?
The InChIKey is IBNRBZUVXJRLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c17-15(16(18)9-2-1-3-10-16)13-8-4-6-12-7-5-11-19-14(12)13/h4,6,8,15,17-18H,1-3,5,7,9-11H2.
What are the key properties of 1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol?
1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 103451616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).