2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene

C17H24O — CID 86188414

IUPAC2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene
SMILESCC1(CC2CCCCC2)CCc2ccccc2O1
InChIInChI=1S/C17H24O/c1-17(13-14-7-3-2-4-8-14)12-11-15-9-5-6-10-16(15)18-17/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3
InChIKeyRVYVQNMKUNLKML-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.74
Rot. Bonds2

About 2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene

2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene (PubChem CID 86188414) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene
PubChem CID86188414
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene
SMILESCC1(CC2CCCCC2)CCc2ccccc2O1
InChIInChI=1S/C17H24O/c1-17(13-14-7-3-2-4-8-14)12-11-15-9-5-6-10-16(15)18-17/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3
InChIKeyRVYVQNMKUNLKML-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene?
The IUPAC name of 2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene (CID 86188414) is 2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene.
What is the SMILES notation for 2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene?
The canonical SMILES for 2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene is CC1(CC2CCCCC2)CCc2ccccc2O1.
What is the InChIKey of 2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene?
The InChIKey is RVYVQNMKUNLKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-17(13-14-7-3-2-4-8-14)12-11-15-9-5-6-10-16(15)18-17/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene?
2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene has a molecular weight of 244.38 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene is sourced from PubChem (CID 86188414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).