2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol

C19H28O2 — CID 114747022

IUPAC2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2cccc3c2OCCC3)C(O)C1
InChIInChI=1S/C19H28O2/c1-13-9-10-15(17(20)12-13)19(2,3)16-8-4-6-14-7-5-11-21-18(14)16/h4,6,8,13,15,17,20H,5,7,9-12H2,1-3H3
InChIKeyDIHVYAMJLBRYAY-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.09
Rot. Bonds2

About 2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol

2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 114747022) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID114747022
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2cccc3c2OCCC3)C(O)C1
InChIInChI=1S/C19H28O2/c1-13-9-10-15(17(20)12-13)19(2,3)16-8-4-6-14-7-5-11-21-18(14)16/h4,6,8,13,15,17,20H,5,7,9-12H2,1-3H3
InChIKeyDIHVYAMJLBRYAY-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 104544388
1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol
CID 114743230
3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
CID 114743820
1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol
CID 114743669
1-(3,4-dihydro-2H-chromen-8-yl)-1-(furan-3-yl)ethanol
CID 114743643
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine
CID 114747708
2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114747718
[3,4-dihydro-2H-chromen-8-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210441
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol (CID 114747022) is 2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)c2cccc3c2OCCC3)C(O)C1.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is DIHVYAMJLBRYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-13-9-10-15(17(20)12-13)19(2,3)16-8-4-6-14-7-5-11-21-18(14)16/h4,6,8,13,15,17,20H,5,7,9-12H2,1-3H3.
What are the key properties of 2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 114747022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).