1-butyl-4-(3-methoxyprop-2-enyl)benzene

C14H20O — CID 67159821

IUPAC1-butyl-4-(3-methoxyprop-2-enyl)benzene
SMILESCCCCc1ccc(CC=COC)cc1
InChIInChI=1S/C14H20O/c1-3-4-6-13-8-10-14(11-9-13)7-5-12-15-2/h5,8-12H,3-4,6-7H2,1-2H3
InChIKeyHDHRBBOVKHAWCN-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.73
Rot. Bonds6

About 1-butyl-4-(3-methoxyprop-2-enyl)benzene

1-butyl-4-(3-methoxyprop-2-enyl)benzene (PubChem CID 67159821) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-butyl-4-(3-methoxyprop-2-enyl)benzene.

Molecular Properties

Compound Name1-butyl-4-(3-methoxyprop-2-enyl)benzene
PubChem CID67159821
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-butyl-4-(3-methoxyprop-2-enyl)benzene
SMILESCCCCc1ccc(CC=COC)cc1
InChIInChI=1S/C14H20O/c1-3-4-6-13-8-10-14(11-9-13)7-5-12-15-2/h5,8-12H,3-4,6-7H2,1-2H3
InChIKeyHDHRBBOVKHAWCN-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyprop-2-enyl)-4-propylbenzene
CID 67159296
(1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine
CID 142391741
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
1-buta-2,3-dienyl-4-butylbenzene
CID 90986104
2-(4-butylphenyl)ethylidene-phosphanylphosphane
CID 89156743
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
1-butyl-4-[(E)-hex-3-enyl]benzene
CID 91565101
1-pentyl-4-prop-2-enylbenzene
CID 24721930
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-methoxyprop-2-enyl)benzene?
The IUPAC name of 1-butyl-4-(3-methoxyprop-2-enyl)benzene (CID 67159821) is 1-butyl-4-(3-methoxyprop-2-enyl)benzene.
What is the SMILES notation for 1-butyl-4-(3-methoxyprop-2-enyl)benzene?
The canonical SMILES for 1-butyl-4-(3-methoxyprop-2-enyl)benzene is CCCCc1ccc(CC=COC)cc1.
What is the InChIKey of 1-butyl-4-(3-methoxyprop-2-enyl)benzene?
The InChIKey is HDHRBBOVKHAWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-4-6-13-8-10-14(11-9-13)7-5-12-15-2/h5,8-12H,3-4,6-7H2,1-2H3.
What are the key properties of 1-butyl-4-(3-methoxyprop-2-enyl)benzene?
1-butyl-4-(3-methoxyprop-2-enyl)benzene has a molecular weight of 204.31 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-methoxyprop-2-enyl)benzene is sourced from PubChem (CID 67159821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).