(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol

C22H22O3 — CID 129384165

IUPAC(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
SMILESCOc1cc([C@@H](O)c2ccc(C)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C22H22O3/c1-16-8-10-18(11-9-16)22(23)19-12-13-20(21(14-19)24-2)25-15-17-6-4-3-5-7-17/h3-14,22-23H,15H2,1-2H3/t22-/m0/s1
InChIKeyBYADVGRLSCWAMX-QFIPXVFZSA-N
MW334.42 g/mol
LogP4.66
Rot. Bonds6

About (S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol

(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol (PubChem CID 129384165) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
PubChem CID129384165
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
SMILESCOc1cc([C@@H](O)c2ccc(C)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C22H22O3/c1-16-8-10-18(11-9-16)22(23)19-12-13-20(21(14-19)24-2)25-15-17-6-4-3-5-7-17/h3-14,22-23H,15H2,1-2H3/t22-/m0/s1
InChIKeyBYADVGRLSCWAMX-QFIPXVFZSA-N
XLogP4.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-(3-methoxy-4-phenylmethoxyphenyl)prop-2-yn-1-ol
CID 15888378
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(2S)-2-azaniumyl-2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]acetate
CID 7139532
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3999767
(3S)-3-azaniumyl-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoate
CID 9152366
(4-methylphenyl)-(8-phenylmethoxyquinazolin-6-yl)methanol
CID 150160926
1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
CID 133207496

Frequently Asked Questions

What is the IUPAC name of (S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol?
The IUPAC name of (S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol (CID 129384165) is (S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol.
What is the SMILES notation for (S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol?
The canonical SMILES for (S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol is COc1cc([C@@H](O)c2ccc(C)cc2)ccc1OCc1ccccc1.
What is the InChIKey of (S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol?
The InChIKey is BYADVGRLSCWAMX-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22O3/c1-16-8-10-18(11-9-16)22(23)19-12-13-20(21(14-19)24-2)25-15-17-6-4-3-5-7-17/h3-14,22-23H,15H2,1-2H3/t22-/m0/s1.
What are the key properties of (S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol?
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol has a molecular weight of 334.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol is sourced from PubChem (CID 129384165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).