3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol

C20H26Cl2O2Si — CID 137327622

IUPAC3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol
SMILESCCCCCOc1ccc(-c2ccc(O)cc2CCC[SiH](Cl)Cl)cc1
InChIInChI=1S/C20H26Cl2O2Si/c1-2-3-4-13-24-19-10-7-16(8-11-19)20-12-9-18(23)15-17(20)6-5-14-25(21)22/h7-12,15,23,25H,2-6,13-14H2,1H3
InChIKeyMRWWKCWRNFPYKR-UHFFFAOYSA-N
MW397.42 g/mol
LogP6.26
Rot. Bonds10

About 3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol

3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol (PubChem CID 137327622) has the molecular formula C20H26Cl2O2Si and a molecular weight of 397.42 g/mol. Its IUPAC name is 3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol.

Molecular Properties

Compound Name3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol
PubChem CID137327622
Molecular FormulaC20H26Cl2O2Si
Molecular Weight397.42 g/mol
Exact Mass396.11
IUPAC Name3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol
SMILESCCCCCOc1ccc(-c2ccc(O)cc2CCC[SiH](Cl)Cl)cc1
InChIInChI=1S/C20H26Cl2O2Si/c1-2-3-4-13-24-19-10-7-16(8-11-19)20-12-9-18(23)15-17(20)6-5-14-25(21)22/h7-12,15,23,25H,2-6,13-14H2,1H3
InChIKeyMRWWKCWRNFPYKR-UHFFFAOYSA-N
XLogP6.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.42
LogP ≤ 56.26
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(4-octoxyphenyl)phenol
CID 19430943
4-(2-decyl-4-hydroxyphenyl)benzoic acid
CID 70357774
4-octadecoxyphenol
CID 22179059
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
CID 23353932
2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
3-fluoro-4-(4-propoxyphenyl)phenol
CID 83130933
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
3-[4-[4-[4-(3-hydroxypropoxy)-3-pentylphenyl]phenyl]phenoxy]propan-1-ol
CID 174566035
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1,4-dipentoxybenzene
CID 18314717
1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431

Frequently Asked Questions

What is the IUPAC name of 3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol?
The IUPAC name of 3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol (CID 137327622) is 3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol.
What is the SMILES notation for 3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol?
The canonical SMILES for 3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol is CCCCCOc1ccc(-c2ccc(O)cc2CCC[SiH](Cl)Cl)cc1.
What is the InChIKey of 3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol?
The InChIKey is MRWWKCWRNFPYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2O2Si/c1-2-3-4-13-24-19-10-7-16(8-11-19)20-12-9-18(23)15-17(20)6-5-14-25(21)22/h7-12,15,23,25H,2-6,13-14H2,1H3.
What are the key properties of 3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol?
3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol has a molecular weight of 397.42 g/mol, XLogP of 6.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dichlorosilylpropyl)-4-(4-pentoxyphenyl)phenol is sourced from PubChem (CID 137327622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).