1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol

C30H38O4 — CID 143649283

IUPAC1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
SMILESCCCCCCC(O)CCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C30H38O4/c1-4-5-6-10-13-27(31)22-23-34-30(24-11-8-7-9-12-24,25-14-18-28(32-2)19-15-25)26-16-20-29(33-3)21-17-26/h7-9,11-12,14-21,27,31H,4-6,10,13,22-23H2,1-3H3
InChIKeyMPKCPOVHKUBQBG-UHFFFAOYSA-N
MW462.63 g/mol
LogP6.73
Rot. Bonds14

About 1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol

1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol (PubChem CID 143649283) has the molecular formula C30H38O4 and a molecular weight of 462.63 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
PubChem CID143649283
Molecular FormulaC30H38O4
Molecular Weight462.63 g/mol
Exact Mass462.28
IUPAC Name1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
SMILESCCCCCCC(O)CCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C30H38O4/c1-4-5-6-10-13-27(31)22-23-34-30(24-11-8-7-9-12-24,25-14-18-28(32-2)19-15-25)26-16-20-29(33-3)21-17-26/h7-9,11-12,14-21,27,31H,4-6,10,13,22-23H2,1-3H3
InChIKeyMPKCPOVHKUBQBG-UHFFFAOYSA-N
XLogP6.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.63
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[bis(4-methoxyphenyl)-phenylmethoxy]icos-11-en-3-ol
CID 68745223
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
1-trityloxytetradecan-3-ol
CID 71342983
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
1-trityloxyoctadecan-2-ol
CID 10436974
1,5-ditrityloxypentan-3-ol
CID 140507927
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-7-hydroxyundecan-6-yl] acetate
CID 162096764
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[(Z)-docos-13-enoxy]propan-2-ol
CID 118667697
(3S)-1-trityloxypentan-3-ol
CID 11163798

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol?
The IUPAC name of 1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol (CID 143649283) is 1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol?
The canonical SMILES for 1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol is CCCCCCC(O)CCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol?
The InChIKey is MPKCPOVHKUBQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O4/c1-4-5-6-10-13-27(31)22-23-34-30(24-11-8-7-9-12-24,25-14-18-28(32-2)19-15-25)26-16-20-29(33-3)21-17-26/h7-9,11-12,14-21,27,31H,4-6,10,13,22-23H2,1-3H3.
What are the key properties of 1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol?
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol has a molecular weight of 462.63 g/mol, XLogP of 6.73, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol is sourced from PubChem (CID 143649283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).