(1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene

C17H22O — CID 123292616

IUPAC(1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene
SMILESCCC(OC)C(c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C17H22O/c1-3-16(18-2)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-12,15-17H,3,13H2,1-2H3
InChIKeyVHBMDLIEUXWTST-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.33
Rot. Bonds5

About (1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene

(1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene (PubChem CID 123292616) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene.

Molecular Properties

Compound Name(1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene
PubChem CID123292616
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene
SMILESCCC(OC)C(c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C17H22O/c1-3-16(18-2)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-12,15-17H,3,13H2,1-2H3
InChIKeyVHBMDLIEUXWTST-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[cyclohexa-2,4-dien-1-yl(iodo)methyl]benzene
CID 89349773
2-cyclohexa-2,4-dien-1-yl-2-phenylacetonitrile
CID 67965946
2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol
CID 146244066
2-methoxy-1-phenylbutan-1-amine
CID 43211581
tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane
CID 23631659
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-methoxyphenyl)methanol
CID 102082183
1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene
CID 11985593
4-bromo-4-cyclohexa-2,4-dien-1-yl-2-ethyl-1-methoxybutan-1-ol
CID 89168287
(2-ethoxy-1-phenylbutyl)benzene
CID 15499938
5-[(3S)-2-methylpent-1-en-3-yl]cyclohexa-1,3-diene
CID 143361604
(1S)-1-[(1R)-cyclohexa-2,4-dien-1-yl]hex-2-yn-1-ol
CID 11446645

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene?
The IUPAC name of (1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene (CID 123292616) is (1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene.
What is the SMILES notation for (1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene?
The canonical SMILES for (1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene is CCC(OC)C(c1ccccc1)C1C=CC=CC1.
What is the InChIKey of (1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene?
The InChIKey is VHBMDLIEUXWTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-3-16(18-2)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-12,15-17H,3,13H2,1-2H3.
What are the key properties of (1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene?
(1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene has a molecular weight of 242.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene is sourced from PubChem (CID 123292616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).