2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene

C16H22O — CID 83941584

IUPAC2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene
SMILESCCC#CC(C)Cc1ccc(OC)cc1CC
InChIInChI=1S/C16H22O/c1-5-7-8-13(3)11-15-9-10-16(17-4)12-14(15)6-2/h9-10,12-13H,5-6,11H2,1-4H3
InChIKeyJBYHQHZAYWLUKG-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.85
Rot. Bonds4

About 2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene

2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene (PubChem CID 83941584) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene.

Molecular Properties

Compound Name2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene
PubChem CID83941584
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene
SMILESCCC#CC(C)Cc1ccc(OC)cc1CC
InChIInChI=1S/C16H22O/c1-5-7-8-13(3)11-15-9-10-16(17-4)12-14(15)6-2/h9-10,12-13H,5-6,11H2,1-4H3
InChIKeyJBYHQHZAYWLUKG-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
CID 83941599
5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine
CID 83941578
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
1-[(2R)-hex-3-yn-2-yl]-4-methoxybenzene
CID 135008661
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
1-(2-methylhex-3-ynyl)-4-phenoxybenzene
CID 83938992
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol
CID 117300552
1-fluoro-4,5-dimethyl-2-(2-methylhex-3-ynyl)benzene
CID 83931656
1-but-3-enyl-2-ethyl-4-methoxybenzene
CID 83941580
1-methoxy-2,3,5-trimethyl-4-(2-methylhex-3-ynyl)benzene
CID 83939358

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene?
The IUPAC name of 2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene (CID 83941584) is 2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene.
What is the SMILES notation for 2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene?
The canonical SMILES for 2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene is CCC#CC(C)Cc1ccc(OC)cc1CC.
What is the InChIKey of 2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene?
The InChIKey is JBYHQHZAYWLUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-5-7-8-13(3)11-15-9-10-16(17-4)12-14(15)6-2/h9-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of 2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene?
2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene has a molecular weight of 230.35 g/mol, XLogP of 3.85, 4 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-methylhex-3-ynyl)benzene is sourced from PubChem (CID 83941584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).