1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene

C14H18O — CID 86076058

IUPAC1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene
SMILESCOc1ccc(CC#CC(C)(C)C)cc1
InChIInChI=1S/C14H18O/c1-14(2,3)11-5-6-12-7-9-13(15-4)10-8-12/h7-10H,6H2,1-4H3
InChIKeyOUUPSSDWTUUYEX-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.29
Rot. Bonds2

About 1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene

1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene (PubChem CID 86076058) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene
PubChem CID86076058
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene
SMILESCOc1ccc(CC#CC(C)(C)C)cc1
InChIInChI=1S/C14H18O/c1-14(2,3)11-5-6-12-7-9-13(15-4)10-8-12/h7-10H,6H2,1-4H3
InChIKeyOUUPSSDWTUUYEX-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-6,6-dimethylhept-4-yn-2-ol
CID 114190155
1-methoxy-4-prop-2-ynylbenzene
CID 10773115
1-[(5,5-dimethyl-2-methylidenehex-3-ynoxy)methyl]-4-methoxybenzene
CID 71740520
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol
CID 102289994
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
1-(3,3-dimethylbut-1-ynyl)-2,4-dimethoxybenzene
CID 160733436
CID 175604529
CID 175604529
(4-methoxyphenyl)methanol
CID 7738
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 20768954
1,5-bis(4-methoxyphenyl)-3-methylpenta-1,4-diyn-3-ol
CID 139242349

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene?
The IUPAC name of 1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene (CID 86076058) is 1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene.
What is the SMILES notation for 1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene?
The canonical SMILES for 1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene is COc1ccc(CC#CC(C)(C)C)cc1.
What is the InChIKey of 1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene?
The InChIKey is OUUPSSDWTUUYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-14(2,3)11-5-6-12-7-9-13(15-4)10-8-12/h7-10H,6H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene?
1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene has a molecular weight of 202.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene is sourced from PubChem (CID 86076058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).