2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene

C18H22O — CID 123945918

IUPAC2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCC(C)c1ccc2c(c1)OC(C1=CCCC=C1)CC2
InChIInChI=1S/C18H22O/c1-13(2)16-9-8-15-10-11-17(19-18(15)12-16)14-6-4-3-5-7-14/h4,6-9,12-13,17H,3,5,10-11H2,1-2H3
InChIKeyADMODIPYDMCHET-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.78
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene

2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene (PubChem CID 123945918) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene
PubChem CID123945918
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCC(C)c1ccc2c(c1)OC(C1=CCCC=C1)CC2
InChIInChI=1S/C18H22O/c1-13(2)16-9-8-15-10-11-17(19-18(15)12-16)14-6-4-3-5-7-14/h4,6-9,12-13,17H,3,5,10-11H2,1-2H3
InChIKeyADMODIPYDMCHET-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethanol
CID 117283229
2-[2-(3,4-dihydro-2H-chromen-6-yl)propyl]-7-propan-2-yl-3,4-dihydro-2H-chromene
CID 134351317
(2S)-6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55272655
(2R)-2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 177260649
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
4,4,5,5-tetramethyl-2-[2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-6-yl]-1,3,2-dioxaborolane
CID 123950237
1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethanol
CID 135313148
2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine
CID 170670927
1,2-dimethyl-7-propan-2-yl-3,4-dihydro-2H-quinoline
CID 141033194
2-[7-[(1S)-1-cyclopropyl-2-methylpropyl]-3,4-dihydro-2H-chromen-2-yl]-5-(2,5-dimethyl-4-pyridinyl)pyrazine;ethane
CID 157183513
2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole
CID 58125585
methyl (2S,3R)-3-[(2S)-2-(3-formyl-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]-3-hydroxy-2-methylpropanoate
CID 118899840

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene (CID 123945918) is 2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene is CC(C)c1ccc2c(c1)OC(C1=CCCC=C1)CC2.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene?
The InChIKey is ADMODIPYDMCHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13(2)16-9-8-15-10-11-17(19-18(15)12-16)14-6-4-3-5-7-14/h4,6-9,12-13,17H,3,5,10-11H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene?
2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene has a molecular weight of 254.37 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-7-propan-2-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 123945918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).