1-methoxy-3-(5-methylhex-4-enyl)benzene

C14H20O — CID 143093894

IUPAC1-methoxy-3-(5-methylhex-4-enyl)benzene
SMILESCOc1cccc(CCCC=C(C)C)c1
InChIInChI=1S/C14H20O/c1-12(2)7-4-5-8-13-9-6-10-14(11-13)15-3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyUDCGRCIUWIMQDY-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.98
Rot. Bonds5

About 1-methoxy-3-(5-methylhex-4-enyl)benzene

1-methoxy-3-(5-methylhex-4-enyl)benzene (PubChem CID 143093894) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-methoxy-3-(5-methylhex-4-enyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(5-methylhex-4-enyl)benzene
PubChem CID143093894
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-methoxy-3-(5-methylhex-4-enyl)benzene
SMILESCOc1cccc(CCCC=C(C)C)c1
InChIInChI=1S/C14H20O/c1-12(2)7-4-5-8-13-9-6-10-14(11-13)15-3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyUDCGRCIUWIMQDY-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-methoxy-3-nonadecylbenzene
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CID 10774359
1-methoxy-3-propylbenzene
CID 14270128
5-(3-methoxyphenyl)-2-oxopentanoic acid
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2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281
(3-methoxyphenyl)(113C)methanol
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CID 71379556

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(5-methylhex-4-enyl)benzene?
The IUPAC name of 1-methoxy-3-(5-methylhex-4-enyl)benzene (CID 143093894) is 1-methoxy-3-(5-methylhex-4-enyl)benzene.
What is the SMILES notation for 1-methoxy-3-(5-methylhex-4-enyl)benzene?
The canonical SMILES for 1-methoxy-3-(5-methylhex-4-enyl)benzene is COc1cccc(CCCC=C(C)C)c1.
What is the InChIKey of 1-methoxy-3-(5-methylhex-4-enyl)benzene?
The InChIKey is UDCGRCIUWIMQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-12(2)7-4-5-8-13-9-6-10-14(11-13)15-3/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 1-methoxy-3-(5-methylhex-4-enyl)benzene?
1-methoxy-3-(5-methylhex-4-enyl)benzene 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-methoxy-3-(5-methylhex-4-enyl)benzene is sourced from PubChem (CID 143093894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).