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

C17H24O2 — CID 107181693

IUPAC3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol
SMILESCC1(C)CCCC1C(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H24O2/c1-17(2)9-3-6-14(17)16(18)13-7-8-15-12(11-13)5-4-10-19-15/h7-8,11,14,16,18H,3-6,9-10H2,1-2H3
InChIKeySZOSNPGNJIIJLF-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.87
Rot. Bonds2

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

3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol (PubChem CID 107181693) 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-(2,2-dimethylcyclopentyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol
PubChem CID107181693
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol
SMILESCC1(C)CCCC1C(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H24O2/c1-17(2)9-3-6-14(17)16(18)13-7-8-15-12(11-13)5-4-10-19-15/h7-8,11,14,16,18H,3-6,9-10H2,1-2H3
InChIKeySZOSNPGNJIIJLF-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107181761
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 107181961
3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
CID 106828329
6-[bromo-(2,2-dimethylcyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 107182199
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
CID 63427036
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177185
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol (CID 107181693) is 3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol is CC1(C)CCCC1C(O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol?
The InChIKey is SZOSNPGNJIIJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-17(2)9-3-6-14(17)16(18)13-7-8-15-12(11-13)5-4-10-19-15/h7-8,11,14,16,18H,3-6,9-10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol?
3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol has a molecular weight of 260.38 g/mol, XLogP of 3.87, 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-(2,2-dimethylcyclopentyl)methanol is sourced from PubChem (CID 107181693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).