3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol

C17H22O2 — CID 114747027

IUPAC3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(c2cccc3c2OCCC3)=CC(O)C1
InChIInChI=1S/C17H22O2/c1-17(2)10-13(9-14(18)11-17)15-7-3-5-12-6-4-8-19-16(12)15/h3,5,7,9,14,18H,4,6,8,10-11H2,1-2H3
InChIKeyTWWWRCSYGMSDMS-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.58
Rot. Bonds1

About 3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol

3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 114747027) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID114747027
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(c2cccc3c2OCCC3)=CC(O)C1
InChIInChI=1S/C17H22O2/c1-17(2)10-13(9-14(18)11-17)15-7-3-5-12-6-4-8-19-16(12)15/h3,5,7,9,14,18H,4,6,8,10-11H2,1-2H3
InChIKeyTWWWRCSYGMSDMS-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 65176869
8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene
CID 107383866
4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
CID 114743663
1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
CID 114743453
8-(2-fluorophenyl)-3,4-dihydro-2H-chromene;methanamine
CID 143567573
1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone
CID 114746496
3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine
CID 114746986
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine
CID 114746628
N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888229
3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
CID 114745561

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol (CID 114747027) is 3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol is CC1(C)CC(c2cccc3c2OCCC3)=CC(O)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is TWWWRCSYGMSDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-17(2)10-13(9-14(18)11-17)15-7-3-5-12-6-4-8-19-16(12)15/h3,5,7,9,14,18H,4,6,8,10-11H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol?
3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 114747027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).