2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol

C27H23ClO3 — CID 56614501

IUPAC2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol
SMILESCOc1ccc(C(OCc2ccc(O)c(Cl)c2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23ClO3/c1-30-24-15-13-23(14-16-24)27(21-8-4-2-5-9-21,22-10-6-3-7-11-22)31-19-20-12-17-26(29)25(28)18-20/h2-18,29H,19H2,1H3
InChIKeyFXTOBXRKQSJQKT-UHFFFAOYSA-N
MW430.93 g/mol
LogP6.56
Rot. Bonds7

About 2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol

2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol (PubChem CID 56614501) has the molecular formula C27H23ClO3 and a molecular weight of 430.93 g/mol. Its IUPAC name is 2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol
PubChem CID56614501
Molecular FormulaC27H23ClO3
Molecular Weight430.93 g/mol
Exact Mass430.13
IUPAC Name2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol
SMILESCOc1ccc(C(OCc2ccc(O)c(Cl)c2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23ClO3/c1-30-24-15-13-23(14-16-24)27(21-8-4-2-5-9-21,22-10-6-3-7-11-22)31-19-20-12-17-26(29)25(28)18-20/h2-18,29H,19H2,1H3
InChIKeyFXTOBXRKQSJQKT-UHFFFAOYSA-N
XLogP6.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.93
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol?
The IUPAC name of 2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol (CID 56614501) is 2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol is COc1ccc(C(OCc2ccc(O)c(Cl)c2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol?
The InChIKey is FXTOBXRKQSJQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClO3/c1-30-24-15-13-23(14-16-24)27(21-8-4-2-5-9-21,22-10-6-3-7-11-22)31-19-20-12-17-26(29)25(28)18-20/h2-18,29H,19H2,1H3.
What are the key properties of 2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol?
2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol has a molecular weight of 430.93 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol is sourced from PubChem (CID 56614501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).