(1-pentoxycyclohexa-2,4-dien-1-yl)benzene

C17H22O — CID 154489063

IUPAC(1-pentoxycyclohexa-2,4-dien-1-yl)benzene
SMILESCCCCCOC1(c2ccccc2)C=CC=CC1
InChIInChI=1S/C17H22O/c1-2-3-10-15-18-17(13-8-5-9-14-17)16-11-6-4-7-12-16/h4-9,11-13H,2-3,10,14-15H2,1H3
InChIKeyDVAQIYBAALSQBC-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.60
Rot. Bonds6

About (1-pentoxycyclohexa-2,4-dien-1-yl)benzene

(1-pentoxycyclohexa-2,4-dien-1-yl)benzene (PubChem CID 154489063) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (1-pentoxycyclohexa-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(1-pentoxycyclohexa-2,4-dien-1-yl)benzene
PubChem CID154489063
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(1-pentoxycyclohexa-2,4-dien-1-yl)benzene
SMILESCCCCCOC1(c2ccccc2)C=CC=CC1
InChIInChI=1S/C17H22O/c1-2-3-10-15-18-17(13-8-5-9-14-17)16-11-6-4-7-12-16/h4-9,11-13H,2-3,10,14-15H2,1H3
InChIKeyDVAQIYBAALSQBC-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene
CID 139694160
4-(4-nonoxy-4-phenylcyclohexa-1,5-dien-1-yl)benzonitrile
CID 175508482
(5S)-1-fluoro-2-(4-heptan-2-yloxyphenyl)-5-hexoxy-5-phenylcyclohexa-1,3-diene
CID 67800171
5-nitro-5-octoxycyclohexa-1,3-diene
CID 68601963
(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
CID 174888236
1-(1-benzylcyclohexa-2,4-dien-1-yl)hexan-1-one
CID 175608884
3,3-didecoxy-2,4-diphenyltricyclo[3.3.0.02,4]octane
CID 102048100
(1-pentoxy-4-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 174951146
1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol
CID 67942873
5-bromo-5-hexoxy-2-phenylcyclohexa-1,3-diene
CID 174534699
1,5-difluoro-5-pentoxy-2-phenylcyclohexa-1,3-diene
CID 67939710
[1-[1-(4-chlorobutoxy)cyclohexa-2,4-dien-1-yl]-2-phenylethenyl]benzene
CID 86751679

Frequently Asked Questions

What is the IUPAC name of (1-pentoxycyclohexa-2,4-dien-1-yl)benzene?
The IUPAC name of (1-pentoxycyclohexa-2,4-dien-1-yl)benzene (CID 154489063) is (1-pentoxycyclohexa-2,4-dien-1-yl)benzene.
What is the SMILES notation for (1-pentoxycyclohexa-2,4-dien-1-yl)benzene?
The canonical SMILES for (1-pentoxycyclohexa-2,4-dien-1-yl)benzene is CCCCCOC1(c2ccccc2)C=CC=CC1.
What is the InChIKey of (1-pentoxycyclohexa-2,4-dien-1-yl)benzene?
The InChIKey is DVAQIYBAALSQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-2-3-10-15-18-17(13-8-5-9-14-17)16-11-6-4-7-12-16/h4-9,11-13H,2-3,10,14-15H2,1H3.
What are the key properties of (1-pentoxycyclohexa-2,4-dien-1-yl)benzene?
(1-pentoxycyclohexa-2,4-dien-1-yl)benzene has a molecular weight of 242.36 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentoxycyclohexa-2,4-dien-1-yl)benzene is sourced from PubChem (CID 154489063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).