3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol

C17H24O2 — CID 106828329

IUPAC3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)c2ccc3c(c2)CCCO3)CCCCC1
InChIInChI=1S/C17H24O2/c1-17(9-3-2-4-10-17)16(18)14-7-8-15-13(12-14)6-5-11-19-15/h7-8,12,16,18H,2-6,9-11H2,1H3
InChIKeyHBHITXMCIFAAJO-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.02
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol

3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol (PubChem CID 106828329) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
PubChem CID106828329
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)c2ccc3c(c2)CCCO3)CCCCC1
InChIInChI=1S/C17H24O2/c1-17(9-3-2-4-10-17)16(18)14-7-8-15-13(12-14)6-5-11-19-15/h7-8,12,16,18H,2-6,9-11H2,1H3
InChIKeyHBHITXMCIFAAJO-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol
CID 107181693
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
7-[bromo-(1-methylcyclohexyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 106828488
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826940
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclopropan-1-amine
CID 116961239
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
2-(3,4-dihydro-2H-chromen-6-yl)propanethial
CID 123536385

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol (CID 106828329) is 3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol is CC1(C(O)c2ccc3c(c2)CCCO3)CCCCC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol?
The InChIKey is HBHITXMCIFAAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-17(9-3-2-4-10-17)16(18)14-7-8-15-13(12-14)6-5-11-19-15/h7-8,12,16,18H,2-6,9-11H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol?
3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol has a molecular weight of 260.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 106828329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).