[2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol

C33H51ClO2 — CID 141321336

IUPAC[2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1ccc(Cl)c(C(O)c2ccccc2)c1
InChIInChI=1S/C33H51ClO2/c1-25(2)12-9-13-26(3)14-10-15-27(4)16-11-17-28(5)22-23-36-30-20-21-32(34)31(24-30)33(35)29-18-7-6-8-19-29/h6-8,18-21,24-28,33,35H,9-17,22-23H2,1-5H3
InChIKeyYAUNAWOABDRELW-UHFFFAOYSA-N
MW515.22 g/mol
LogP10.27
Rot. Bonds18

About [2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol

[2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol (PubChem CID 141321336) has the molecular formula C33H51ClO2 and a molecular weight of 515.22 g/mol. Its IUPAC name is [2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol
PubChem CID141321336
Molecular FormulaC33H51ClO2
Molecular Weight515.22 g/mol
Exact Mass514.36
IUPAC Name[2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1ccc(Cl)c(C(O)c2ccccc2)c1
InChIInChI=1S/C33H51ClO2/c1-25(2)12-9-13-26(3)14-10-15-27(4)16-11-17-28(5)22-23-36-30-20-21-32(34)31(24-30)33(35)29-18-7-6-8-19-29/h6-8,18-21,24-28,33,35H,9-17,22-23H2,1-5H3
InChIKeyYAUNAWOABDRELW-UHFFFAOYSA-N
XLogP10.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.22
LogP ≤ 510.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
CID 56940895
1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene
CID 54179192
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-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene
CID 141001120
(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol
CID 62919523
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
1-(chloromethyl)-2-[4-(3,7-dimethyloctoxy)phenyl]benzene
CID 18177604
2,3,6,7,10,11-hexakis(3,7-dimethyloctoxy)triphenylene
CID 11320772
2,3,6,7,10,11-hexakis[(3R)-3,7-dimethyloctoxy]triphenylene
CID 100942085
1-(4-chloro-3-methoxyphenyl)-3-phenoxypropan-1-ol
CID 79698805
2-[azido(phenyl)methyl]-1-chloro-4-methylbenzene;1-chloro-2-[chloro(phenyl)methyl]-4-methylbenzene;(2-chloro-5-methylphenyl)-phenylmethanamine;(2-chloro-5-methylphenyl)-phenylmethanol;methane;2,6,10,14-tetramethylhexadecane
CID 161429550

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol?
The IUPAC name of [2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol (CID 141321336) is [2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol.
What is the SMILES notation for [2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol?
The canonical SMILES for [2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol is CC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1ccc(Cl)c(C(O)c2ccccc2)c1.
What is the InChIKey of [2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol?
The InChIKey is YAUNAWOABDRELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51ClO2/c1-25(2)12-9-13-26(3)14-10-15-27(4)16-11-17-28(5)22-23-36-30-20-21-32(34)31(24-30)33(35)29-18-7-6-8-19-29/h6-8,18-21,24-28,33,35H,9-17,22-23H2,1-5H3.
What are the key properties of [2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol?
[2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol has a molecular weight of 515.22 g/mol, XLogP of 10.27, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol is sourced from PubChem (CID 141321336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).