1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene

C14H20O — CID 83932852

IUPAC1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene
SMILESC/C=C\CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20O/c1-4-5-6-7-13-8-10-14(11-9-13)15-12(2)3/h4-5,8-12H,6-7H2,1-3H3/b5-4-
InChIKeyHOVCUHBWUHWYGU-PLNGDYQASA-N
MW204.31 g/mol
LogP3.98
Rot. Bonds5

About 1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene

1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene (PubChem CID 83932852) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene
PubChem CID83932852
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene
SMILESC/C=C\CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20O/c1-4-5-6-7-13-8-10-14(11-9-13)15-12(2)3/h4-5,8-12H,6-7H2,1-3H3/b5-4-
InChIKeyHOVCUHBWUHWYGU-PLNGDYQASA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
Mephenesin
CID 4059
4-Methylphenyl acetate
CID 8797
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 2194
Nonaethylene Glycol Nonylphenyl Ether
CID 72385
4-Methoxybenzyl alcohol
CID 7738
4-Methylanisole
CID 7731
4-Methoxybenzyl acetate
CID 7695
Anisylacetone
CID 61007
4-Methoxybenzyl formate
CID 61054
Cresyl glycidyl ether
CID 16606

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene?
The IUPAC name of 1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene (CID 83932852) is 1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene?
The canonical SMILES for 1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene is C/C=C\CCc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene?
The InChIKey is HOVCUHBWUHWYGU-PLNGDYQASA-N. The full InChI is InChI=1S/C14H20O/c1-4-5-6-7-13-8-10-14(11-9-13)15-12(2)3/h4-5,8-12H,6-7H2,1-3H3/b5-4-.
What are the key properties of 1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene?
1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene has a molecular weight of 204.31 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene is sourced from PubChem (CID 83932852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).