4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol

C16H22O3 — CID 114743663

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
SMILESCC1CC(O)(c2cccc3c2OCCC3)CC(C)O1
InChIInChI=1S/C16H22O3/c1-11-9-16(17,10-12(2)19-11)14-7-3-5-13-6-4-8-18-15(13)14/h3,5,7,11-12,17H,4,6,8-10H2,1-2H3
InChIKeyZESDKISTOLAAHH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.79
Rot. Bonds1

About 4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol

4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol (PubChem CID 114743663) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
PubChem CID114743663
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
SMILESCC1CC(O)(c2cccc3c2OCCC3)CC(C)O1
InChIInChI=1S/C16H22O3/c1-11-9-16(17,10-12(2)19-11)14-7-3-5-13-6-4-8-18-15(13)14/h3,5,7,11-12,17H,4,6,8-10H2,1-2H3
InChIKeyZESDKISTOLAAHH-UHFFFAOYSA-N
XLogP2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
CID 114743453
4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
CID 114743718
3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
CID 114743211
1-(3,4-dihydro-2H-chromen-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 114743136
1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
CID 114747423
1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
CID 114747425
4-(3,4-dihydro-2H-chromen-8-yl)-1-ethylazepan-4-ol
CID 114743484
1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114743207
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
CID 82808469
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
CID 114743729
1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743921
3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol
CID 114747027

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol (CID 114743663) is 4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol is CC1CC(O)(c2cccc3c2OCCC3)CC(C)O1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol?
The InChIKey is ZESDKISTOLAAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-9-16(17,10-12(2)19-11)14-7-3-5-13-6-4-8-18-15(13)14/h3,5,7,11-12,17H,4,6,8-10H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol?
4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol has a molecular weight of 262.35 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol is sourced from PubChem (CID 114743663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).