1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol

C45H44O5 — CID 70004134

IUPAC1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
SMILESCOc1ccc(C(CC(O)CC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C45H44O5/c1-47-40-23-15-35(16-24-40)44(33-11-7-5-8-12-33,36-17-25-41(48-2)26-18-36)31-39(46)32-45(34-13-9-6-10-14-34,37-19-27-42(49-3)28-20-37)38-21-29-43(50-4)30-22-38/h5-30,39,46H,31-32H2,1-4H3
InChIKeyYZROCQKKYKHEBQ-UHFFFAOYSA-N
MW664.84 g/mol
LogP9.23
Rot. Bonds14

About 1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol

1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol (PubChem CID 70004134) has the molecular formula C45H44O5 and a molecular weight of 664.84 g/mol. Its IUPAC name is 1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol.

Molecular Properties

Compound Name1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
PubChem CID70004134
Molecular FormulaC45H44O5
Molecular Weight664.84 g/mol
Exact Mass664.32
IUPAC Name1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
SMILESCOc1ccc(C(CC(O)CC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C45H44O5/c1-47-40-23-15-35(16-24-40)44(33-11-7-5-8-12-33,36-17-25-41(48-2)26-18-36)31-39(46)32-45(34-13-9-6-10-14-34,37-19-27-42(49-3)28-20-37)38-21-29-43(50-4)30-22-38/h5-30,39,46H,31-32H2,1-4H3
InChIKeyYZROCQKKYKHEBQ-UHFFFAOYSA-N
XLogP9.23
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.84
LogP ≤ 59.23
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

1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918
2-[1-hydroxy-3,3-bis(4-methoxyphenyl)-3-phenylpropyl]sulfonylacetaldehyde
CID 88620158
2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine
CID 71716896
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium
CID 159393710
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
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757

Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol?
The IUPAC name of 1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol (CID 70004134) is 1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol.
What is the SMILES notation for 1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol?
The canonical SMILES for 1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol is COc1ccc(C(CC(O)CC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol?
The InChIKey is YZROCQKKYKHEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44O5/c1-47-40-23-15-35(16-24-40)44(33-11-7-5-8-12-33,36-17-25-41(48-2)26-18-36)31-39(46)32-45(34-13-9-6-10-14-34,37-19-27-42(49-3)28-20-37)38-21-29-43(50-4)30-22-38/h5-30,39,46H,31-32H2,1-4H3.
What are the key properties of 1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol?
1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol has a molecular weight of 664.84 g/mol, XLogP of 9.23, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol is sourced from PubChem (CID 70004134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).