1-(3-butoxyprop-1-enyl)-4-methoxybenzene

C14H20O2 — CID 72750834

IUPAC1-(3-butoxyprop-1-enyl)-4-methoxybenzene
SMILESCCCCOCC=Cc1ccc(OC)cc1
InChIInChI=1S/C14H20O2/c1-3-4-11-16-12-5-6-13-7-9-14(15-2)10-8-13/h5-10H,3-4,11-12H2,1-2H3
InChIKeyWFEMLAHWOBPOSP-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.53
Rot. Bonds7

About 1-(3-butoxyprop-1-enyl)-4-methoxybenzene

1-(3-butoxyprop-1-enyl)-4-methoxybenzene (PubChem CID 72750834) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(3-butoxyprop-1-enyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3-butoxyprop-1-enyl)-4-methoxybenzene
PubChem CID72750834
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(3-butoxyprop-1-enyl)-4-methoxybenzene
SMILESCCCCOCC=Cc1ccc(OC)cc1
InChIInChI=1S/C14H20O2/c1-3-4-11-16-12-5-6-13-7-9-14(15-2)10-8-13/h5-10H,3-4,11-12H2,1-2H3
InChIKeyWFEMLAHWOBPOSP-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.53
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

4-(3-butoxyprop-1-enyl)benzaldehyde
CID 54299174
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene
CID 14919714
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
2-butoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6450437
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene
CID 173058757
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
1-[(Z)-hept-1-enyl]-4-methoxybenzene;1-iodo-4-methylbenzene
CID 159696317

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxyprop-1-enyl)-4-methoxybenzene?
The IUPAC name of 1-(3-butoxyprop-1-enyl)-4-methoxybenzene (CID 72750834) is 1-(3-butoxyprop-1-enyl)-4-methoxybenzene.
What is the SMILES notation for 1-(3-butoxyprop-1-enyl)-4-methoxybenzene?
The canonical SMILES for 1-(3-butoxyprop-1-enyl)-4-methoxybenzene is CCCCOCC=Cc1ccc(OC)cc1.
What is the InChIKey of 1-(3-butoxyprop-1-enyl)-4-methoxybenzene?
The InChIKey is WFEMLAHWOBPOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-4-11-16-12-5-6-13-7-9-14(15-2)10-8-13/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of 1-(3-butoxyprop-1-enyl)-4-methoxybenzene?
1-(3-butoxyprop-1-enyl)-4-methoxybenzene has a molecular weight of 220.31 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxyprop-1-enyl)-4-methoxybenzene is sourced from PubChem (CID 72750834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).