(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol

C36H34O5 — CID 10325161

IUPAC(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(C(OC[C@@H](O)COCc2ccc(Oc3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H34O5/c1-38-33-23-19-31(20-24-33)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)40-27-32(37)26-39-25-28-17-21-35(22-18-28)41-34-15-9-4-10-16-34/h2-24,32,37H,25-27H2,1H3/t32-/m0/s1
InChIKeyCXESKJWYWLDFOW-YTTGMZPUSA-N
MW546.66 g/mol
LogP7.37
Rot. Bonds13

About (2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol

(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol (PubChem CID 10325161) has the molecular formula C36H34O5 and a molecular weight of 546.66 g/mol. Its IUPAC name is (2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
PubChem CID10325161
Molecular FormulaC36H34O5
Molecular Weight546.66 g/mol
Exact Mass546.24
IUPAC Name(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(C(OC[C@@H](O)COCc2ccc(Oc3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H34O5/c1-38-33-23-19-31(20-24-33)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)40-27-32(37)26-39-25-28-17-21-35(22-18-28)41-34-15-9-4-10-16-34/h2-24,32,37H,25-27H2,1H3/t32-/m0/s1
InChIKeyCXESKJWYWLDFOW-YTTGMZPUSA-N
XLogP7.37
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.66
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
CID 135215406
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[(Z)-docos-13-enoxy]propan-2-ol
CID 118667697
1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
[(2R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl] 4-methylbenzenesulfonate
CID 137498681
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol
CID 141240632

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol (CID 10325161) is (2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol is COc1ccc(C(OC[C@@H](O)COCc2ccc(Oc3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol?
The InChIKey is CXESKJWYWLDFOW-YTTGMZPUSA-N. The full InChI is InChI=1S/C36H34O5/c1-38-33-23-19-31(20-24-33)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)40-27-32(37)26-39-25-28-17-21-35(22-18-28)41-34-15-9-4-10-16-34/h2-24,32,37H,25-27H2,1H3/t32-/m0/s1.
What are the key properties of (2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol?
(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol has a molecular weight of 546.66 g/mol, XLogP of 7.37, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 10325161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).