2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene

C14H20O — CID 83941599

IUPAC2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1ccc(OC)cc1CC
InChIInChI=1S/C14H20O/c1-5-11(3)9-13-7-8-14(15-4)10-12(13)6-2/h5,7-8,10-11H,1,6,9H2,2-4H3
InChIKeyDSCQXHIPHWJMFZ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.62
Rot. Bonds5

About 2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene

2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene (PubChem CID 83941599) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
PubChem CID83941599
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1ccc(OC)cc1CC
InChIInChI=1S/C14H20O/c1-5-11(3)9-13-7-8-14(15-4)10-12(13)6-2/h5,7-8,10-11H,1,6,9H2,2-4H3
InChIKeyDSCQXHIPHWJMFZ-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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

1-ethyl-2-(2-methylbut-3-enyl)benzene
CID 18956737
1-but-3-enyl-2-ethyl-4-methoxybenzene
CID 83941580
5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine
CID 83941578
2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene
CID 83941584
2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene
CID 83941597
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
CID 83933802
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
(2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal
CID 86624017
2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid
CID 139576547

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene?
The IUPAC name of 2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene (CID 83941599) is 2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene.
What is the SMILES notation for 2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene?
The canonical SMILES for 2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene is C=CC(C)Cc1ccc(OC)cc1CC.
What is the InChIKey of 2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene?
The InChIKey is DSCQXHIPHWJMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-11(3)9-13-7-8-14(15-4)10-12(13)6-2/h5,7-8,10-11H,1,6,9H2,2-4H3.
What are the key properties of 2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene?
2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene has a molecular weight of 204.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene is sourced from PubChem (CID 83941599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).