[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol

C47H88O3 — CID 56940895

IUPAC[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1ccc(CO)c(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)c1
InChIInChI=1S/C47H88O3/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)31-33-49-46-30-29-45(36-48)47(35-46)50-34-32-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h29-30,35,37-44,48H,11-28,31-34,36H2,1-10H3
InChIKeyNZCVCWXHHVYOKQ-UHFFFAOYSA-N
MW701.22 g/mol
LogP14.87
Rot. Bonds33

About [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol

[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol (PubChem CID 56940895) has the molecular formula C47H88O3 and a molecular weight of 701.22 g/mol. Its IUPAC name is [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol.

Molecular Properties

Compound Name[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
PubChem CID56940895
Molecular FormulaC47H88O3
Molecular Weight701.22 g/mol
Exact Mass700.67
IUPAC Name[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1ccc(CO)c(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)c1
InChIInChI=1S/C47H88O3/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)31-33-49-46-30-29-45(36-48)47(35-46)50-34-32-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h29-30,35,37-44,48H,11-28,31-34,36H2,1-10H3
InChIKeyNZCVCWXHHVYOKQ-UHFFFAOYSA-N
XLogP14.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.22
LogP ≤ 514.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dipentoxyphenyl)methanol
CID 54794877
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700
2,3,6,7,10,11-hexakis[(3R)-3,7-dimethyloctoxy]triphenylene
CID 100942085
2,3,6,7,10,11-hexakis(3,7-dimethyloctoxy)triphenylene
CID 11320772
1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene
CID 141321330
1-[1,2-dibromo-2-[3-(3,7-dimethyloctoxy)phenyl]ethenyl]-3-(3,7-dimethyloctoxy)benzene
CID 87315909
1,4-dibromo-2,5-bis(3,7-dimethyloctoxy)benzene
CID 22174235
1-(chloromethyl)-2-[4-(3,7-dimethyloctoxy)phenyl]benzene
CID 18177604
(2S)-2-amino-2-[2-[4-(5,9-dimethyldecoxy)-2-methoxyphenyl]ethyl]-3-methylbutan-1-ol
CID 67608481
[2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol
CID 141321336
[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol
CID 159571460
[2,4-bis(3-phenylpropoxy)phenyl]methanol
CID 54794890

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol?
The IUPAC name of [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol (CID 56940895) is [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol.
What is the SMILES notation for [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol?
The canonical SMILES for [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol is CC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1ccc(CO)c(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)c1.
What is the InChIKey of [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol?
The InChIKey is NZCVCWXHHVYOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H88O3/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)31-33-49-46-30-29-45(36-48)47(35-46)50-34-32-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h29-30,35,37-44,48H,11-28,31-34,36H2,1-10H3.
What are the key properties of [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol?
[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol has a molecular weight of 701.22 g/mol, XLogP of 14.87, 33 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol is sourced from PubChem (CID 56940895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).