3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol

C14H24O2Si — CID 158813985

IUPAC3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol
SMILESCC(C)CC(O)c1ccc(OCCC[SiH3])cc1
InChIInChI=1S/C14H24O2Si/c1-11(2)10-14(15)12-4-6-13(7-5-12)16-8-3-9-17/h4-7,11,14-15H,3,8-10H2,1-2,17H3
InChIKeyDCXCJSQQNZKILR-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.32
Rot. Bonds7

About 3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol

3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol (PubChem CID 158813985) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol
PubChem CID158813985
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol
SMILESCC(C)CC(O)c1ccc(OCCC[SiH3])cc1
InChIInChI=1S/C14H24O2Si/c1-11(2)10-14(15)12-4-6-13(7-5-12)16-8-3-9-17/h4-7,11,14-15H,3,8-10H2,1-2,17H3
InChIKeyDCXCJSQQNZKILR-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-(4-methoxyphenyl)-3,5-dimethylhexan-1-ol
CID 114200447
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
3,5,5-trimethyl-1-(4-propoxyphenyl)hexan-1-ol
CID 115795331
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol
CID 78934322
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
2-bromo-1-(4-octoxyphenyl)ethanol
CID 118331988

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol?
The IUPAC name of 3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol (CID 158813985) is 3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol.
What is the SMILES notation for 3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol?
The canonical SMILES for 3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol is CC(C)CC(O)c1ccc(OCCC[SiH3])cc1.
What is the InChIKey of 3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol?
The InChIKey is DCXCJSQQNZKILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-11(2)10-14(15)12-4-6-13(7-5-12)16-8-3-9-17/h4-7,11,14-15H,3,8-10H2,1-2,17H3.
What are the key properties of 3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol?
3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol has a molecular weight of 252.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(3-silylpropoxy)phenyl]butan-1-ol is sourced from PubChem (CID 158813985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).