2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol

C65H94O8 — CID 157081622

IUPAC2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol
SMILESCC.CC.CC.CC.CC.CC.COc1c(C)cc(O)cc1C.COc1c(C)cc(OCc2ccccc2)cc1C.Cc1cc(OCc2ccccc2)cc(C)c1O.Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H18O2.C15H16O2.C13H12O2.C9H12O2.6C2H6/c1-12-9-15(10-13(2)16(12)17-3)18-11-14-7-5-4-6-8-14;1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-6-4-8(10)5-7(2)9(6)11-3;6*1-2/h4-10H,11H2,1-3H3;3-9,16H,10H2,1-2H3;1-9,14H,10H2;4-5,10H,1-3H3;6*1-2H3
InChIKeyADPNWOOOYGBVHH-UHFFFAOYSA-N
MW1003.46 g/mol
LogP18.63
Rot. Bonds11

About 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol

2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol (PubChem CID 157081622) has the molecular formula C65H94O8 and a molecular weight of 1003.46 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol.

Molecular Properties

Compound Name2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol
PubChem CID157081622
Molecular FormulaC65H94O8
Molecular Weight1003.46 g/mol
Exact Mass1002.69
IUPAC Name2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol
SMILESCC.CC.CC.CC.CC.CC.COc1c(C)cc(O)cc1C.COc1c(C)cc(OCc2ccccc2)cc1C.Cc1cc(OCc2ccccc2)cc(C)c1O.Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H18O2.C15H16O2.C13H12O2.C9H12O2.6C2H6/c1-12-9-15(10-13(2)16(12)17-3)18-11-14-7-5-4-6-8-14;1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-6-4-8(10)5-7(2)9(6)11-3;6*1-2/h4-10H,11H2,1-3H3;3-9,16H,10H2,1-2H3;1-9,14H,10H2;4-5,10H,1-3H3;6*1-2H3
InChIKeyADPNWOOOYGBVHH-UHFFFAOYSA-N
XLogP18.63
TPSA106.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.46
LogP ≤ 518.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol with MolForge

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Related Compounds

2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol
CID 54243876
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide
CID 158855139
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
1-(4-methoxy-3,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3931164
(3-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 102594232

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol?
The IUPAC name of 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol (CID 157081622) is 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol.
What is the SMILES notation for 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol?
The canonical SMILES for 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol is CC.CC.CC.CC.CC.CC.COc1c(C)cc(O)cc1C.COc1c(C)cc(OCc2ccccc2)cc1C.Cc1cc(OCc2ccccc2)cc(C)c1O.Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol?
The InChIKey is ADPNWOOOYGBVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.C15H16O2.C13H12O2.C9H12O2.6C2H6/c1-12-9-15(10-13(2)16(12)17-3)18-11-14-7-5-4-6-8-14;1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-6-4-8(10)5-7(2)9(6)11-3;6*1-2/h4-10H,11H2,1-3H3;3-9,16H,10H2,1-2H3;1-9,14H,10H2;4-5,10H,1-3H3;6*1-2H3.
What are the key properties of 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol?
2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol has a molecular weight of 1003.46 g/mol, XLogP of 18.63, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol is sourced from PubChem (CID 157081622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).