5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol

C16H22O3 — CID 102289994

IUPAC5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol
SMILESCOc1ccc(COC(C)(C)C#CC(C)(C)O)cc1
InChIInChI=1S/C16H22O3/c1-15(2,17)10-11-16(3,4)19-12-13-6-8-14(18-5)9-7-13/h6-9,17H,12H2,1-5H3
InChIKeyRPIGLGDFVTYMEE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.76
Rot. Bonds4

About 5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol

5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol (PubChem CID 102289994) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol
PubChem CID102289994
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol
SMILESCOc1ccc(COC(C)(C)C#CC(C)(C)O)cc1
InChIInChI=1S/C16H22O3/c1-15(2,17)10-11-16(3,4)19-12-13-6-8-14(18-5)9-7-13/h6-9,17H,12H2,1-5H3
InChIKeyRPIGLGDFVTYMEE-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
1-[(5,5-dimethyl-2-methylidenehex-3-ynoxy)methyl]-4-methoxybenzene
CID 71740520
(4-methoxyphenyl)methyl 3,3-dimethylbutaneperoxoate
CID 143775458
(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
CID 66172841
1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene
CID 86076058
4-hydroxy-1-(4-methoxyphenyl)-4-methylpent-2-yn-1-one
CID 12722577
(4-methoxyphenyl)methyl hypobromite
CID 166766888
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091
1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol
CID 67742855
1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 79444953

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol?
The IUPAC name of 5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol (CID 102289994) is 5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol.
What is the SMILES notation for 5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol?
The canonical SMILES for 5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol is COc1ccc(COC(C)(C)C#CC(C)(C)O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol?
The InChIKey is RPIGLGDFVTYMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-15(2,17)10-11-16(3,4)19-12-13-6-8-14(18-5)9-7-13/h6-9,17H,12H2,1-5H3.
What are the key properties of 5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol?
5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol has a molecular weight of 262.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol is sourced from PubChem (CID 102289994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).