dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane

C18H25BO — CID 159529866

IUPACdimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane
SMILESC.CB(C)c1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C17H21BO.CH4/c1-18(2)16-11-6-12-17(14-16)19-13-7-10-15-8-4-3-5-9-15;/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3;1H4
InChIKeyMCVXCCLVIBDTPR-UHFFFAOYSA-N
MW268.21 g/mol
LogP4.30
Rot. Bonds6

About dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane

dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane (PubChem CID 159529866) has the molecular formula C18H25BO and a molecular weight of 268.21 g/mol. Its IUPAC name is dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane.

Molecular Properties

Compound Namedimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane
PubChem CID159529866
Molecular FormulaC18H25BO
Molecular Weight268.21 g/mol
Exact Mass268.20
IUPAC Namedimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane
SMILESC.CB(C)c1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C17H21BO.CH4/c1-18(2)16-11-6-12-17(14-16)19-13-7-10-15-8-4-3-5-9-15;/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3;1H4
InChIKeyMCVXCCLVIBDTPR-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

dimethyl-[3-(2-phenylethoxy)phenyl]borane;methane
CID 158698082
dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane
CID 158958715
2-(3-phenylpropoxy)naphthalene
CID 13432986
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
2-[3-(3-phenylpropoxy)phenyl]ethyl methanesulfonate
CID 166852180
N-[[3-(2-methylpropoxy)phenyl]methyl]-4-(3-phenylpropoxy)aniline
CID 54801132
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
3-(6-phenylhexoxy)phenol
CID 54079626
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
[3-fluoro-5-(3-phenylpropoxy)phenyl]boronic acid
CID 81332568
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
CID 104893811

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane?
The IUPAC name of dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane (CID 159529866) is dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane.
What is the SMILES notation for dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane?
The canonical SMILES for dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane is C.CB(C)c1cccc(OCCCc2ccccc2)c1.
What is the InChIKey of dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane?
The InChIKey is MCVXCCLVIBDTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BO.CH4/c1-18(2)16-11-6-12-17(14-16)19-13-7-10-15-8-4-3-5-9-15;/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3;1H4.
What are the key properties of dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane?
dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane has a molecular weight of 268.21 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane is sourced from PubChem (CID 159529866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).