1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene

C16H20O2 — CID 70909815

IUPAC1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene
SMILESCc1ccccc1OCCCOC1=CCCC=C1
InChIInChI=1S/C16H20O2/c1-14-8-5-6-11-16(14)18-13-7-12-17-15-9-3-2-4-10-15/h3,5-6,8-11H,2,4,7,12-13H2,1H3
InChIKeyHRVRPBQEGXJHGY-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.01
Rot. Bonds6

About 1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene

1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene (PubChem CID 70909815) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene.

Molecular Properties

Compound Name1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene
PubChem CID70909815
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene
SMILESCc1ccccc1OCCCOC1=CCCC=C1
InChIInChI=1S/C16H20O2/c1-14-8-5-6-11-16(14)18-13-7-12-17-15-9-3-2-4-10-15/h3,5-6,8-11H,2,4,7,12-13H2,1H3
InChIKeyHRVRPBQEGXJHGY-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-2-[4-(6-methylcyclohexa-1,5-dien-1-yl)oxybutoxy]benzene
CID 172627121
2-heptoxycyclohexa-1,3-diene
CID 21485321
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
1-[3-(2-methylphenoxy)propyl]pyrrole-2,5-dione
CID 94688559
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
CID 2283423
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene?
The IUPAC name of 1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene (CID 70909815) is 1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene.
What is the SMILES notation for 1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene?
The canonical SMILES for 1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene is Cc1ccccc1OCCCOC1=CCCC=C1.
What is the InChIKey of 1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene?
The InChIKey is HRVRPBQEGXJHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-14-8-5-6-11-16(14)18-13-7-12-17-15-9-3-2-4-10-15/h3,5-6,8-11H,2,4,7,12-13H2,1H3.
What are the key properties of 1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene?
1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene has a molecular weight of 244.33 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene is sourced from PubChem (CID 70909815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).