(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol

C19H24O3 — CID 134864557

IUPAC(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
SMILESCOc1ccc(CO[C@@H](c2ccccc2)[C@@H](C)C(C)O)cc1
InChIInChI=1S/C19H24O3/c1-14(15(2)20)19(17-7-5-4-6-8-17)22-13-16-9-11-18(21-3)12-10-16/h4-12,14-15,19-20H,13H2,1-3H3/t14-,15?,19+/m0/s1
InChIKeyWPPOAUVSPUAXPC-CTHAPGQVSA-N
MW300.40 g/mol
LogP3.97
Rot. Bonds7

About (3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol

(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol (PubChem CID 134864557) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
PubChem CID134864557
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
SMILESCOc1ccc(CO[C@@H](c2ccccc2)[C@@H](C)C(C)O)cc1
InChIInChI=1S/C19H24O3/c1-14(15(2)20)19(17-7-5-4-6-8-17)22-13-16-9-11-18(21-3)12-10-16/h4-12,14-15,19-20H,13H2,1-3H3/t14-,15?,19+/m0/s1
InChIKeyWPPOAUVSPUAXPC-CTHAPGQVSA-N
XLogP3.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
CID 154717250
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
[(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate
CID 12060217
(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol
CID 135066400
(1R,2S,3R)-1-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-1-phenylpentane-2,3-diol
CID 54598131
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
(4S,8S)-8-[(4-methoxyphenyl)methoxy]-8-phenyloct-1-en-4-ol
CID 162393497
(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol
CID 15981856

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol?
The IUPAC name of (3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol (CID 134864557) is (3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol.
What is the SMILES notation for (3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol?
The canonical SMILES for (3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol is COc1ccc(CO[C@@H](c2ccccc2)[C@@H](C)C(C)O)cc1.
What is the InChIKey of (3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol?
The InChIKey is WPPOAUVSPUAXPC-CTHAPGQVSA-N. The full InChI is InChI=1S/C19H24O3/c1-14(15(2)20)19(17-7-5-4-6-8-17)22-13-16-9-11-18(21-3)12-10-16/h4-12,14-15,19-20H,13H2,1-3H3/t14-,15?,19+/m0/s1.
What are the key properties of (3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol?
(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol has a molecular weight of 300.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol is sourced from PubChem (CID 134864557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).