1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol

C62H62O9 — CID 141240632

IUPAC1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol
SMILESCOc1ccc(C(OCC(O)Cc2cc(C)ccc2Oc2ccc(C)cc2CC(O)COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C62H62O9/c1-43-17-35-59(45(37-43)39-53(63)41-69-61(47-13-9-7-10-14-47,49-19-27-55(65-3)28-20-49)50-21-29-56(66-4)30-22-50)71-60-36-18-44(2)38-46(60)40-54(64)42-70-62(48-15-11-8-12-16-48,51-23-31-57(67-5)32-24-51)52-25-33-58(68-6)34-26-52/h7-38,53-54,63-64H,39-42H2,1-6H3
InChIKeyIRNFTVQLBICVLK-UHFFFAOYSA-N
MW951.17 g/mol
LogP11.95
Rot. Bonds22

About 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol

1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol (PubChem CID 141240632) has the molecular formula C62H62O9 and a molecular weight of 951.17 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol
PubChem CID141240632
Molecular FormulaC62H62O9
Molecular Weight951.17 g/mol
Exact Mass950.44
IUPAC Name1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol
SMILESCOc1ccc(C(OCC(O)Cc2cc(C)ccc2Oc2ccc(C)cc2CC(O)COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C62H62O9/c1-43-17-35-59(45(37-43)39-53(63)41-69-61(47-13-9-7-10-14-47,49-19-27-55(65-3)28-20-49)50-21-29-56(66-4)30-22-50)71-60-36-18-44(2)38-46(60)40-54(64)42-70-62(48-15-11-8-12-16-48,51-23-31-57(67-5)32-24-51)52-25-33-58(68-6)34-26-52/h7-38,53-54,63-64H,39-42H2,1-6H3
InChIKeyIRNFTVQLBICVLK-UHFFFAOYSA-N
XLogP11.95
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.17
LogP ≤ 511.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl] 4-methylbenzenesulfonate
CID 137498681
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
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol?
The IUPAC name of 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol (CID 141240632) is 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol?
The canonical SMILES for 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol is COc1ccc(C(OCC(O)Cc2cc(C)ccc2Oc2ccc(C)cc2CC(O)COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol?
The InChIKey is IRNFTVQLBICVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62O9/c1-43-17-35-59(45(37-43)39-53(63)41-69-61(47-13-9-7-10-14-47,49-19-27-55(65-3)28-20-49)50-21-29-56(66-4)30-22-50)71-60-36-18-44(2)38-46(60)40-54(64)42-70-62(48-15-11-8-12-16-48,51-23-31-57(67-5)32-24-51)52-25-33-58(68-6)34-26-52/h7-38,53-54,63-64H,39-42H2,1-6H3.
What are the key properties of 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol?
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol has a molecular weight of 951.17 g/mol, XLogP of 11.95, 22 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-4-methylphenoxy]-5-methylphenyl]propan-2-ol is sourced from PubChem (CID 141240632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).