4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol

C20H17ClO3 — CID 12772652

IUPAC4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol
SMILESOc1ccccc1Cc1cc(Cl)cc(Cc2ccccc2O)c1O
InChIInChI=1S/C20H17ClO3/c21-17-11-15(9-13-5-1-3-7-18(13)22)20(24)16(12-17)10-14-6-2-4-8-19(14)23/h1-8,11-12,22-24H,9-10H2
InChIKeyUOFVFVZZENGXIU-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.64
Rot. Bonds4

About 4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol

4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol (PubChem CID 12772652) has the molecular formula C20H17ClO3 and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol
PubChem CID12772652
Molecular FormulaC20H17ClO3
Molecular Weight340.81 g/mol
Exact Mass340.09
IUPAC Name4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol
SMILESOc1ccccc1Cc1cc(Cl)cc(Cc2ccccc2O)c1O
InChIInChI=1S/C20H17ClO3/c21-17-11-15(9-13-5-1-3-7-18(13)22)20(24)16(12-17)10-14-6-2-4-8-19(14)23/h1-8,11-12,22-24H,9-10H2
InChIKeyUOFVFVZZENGXIU-UHFFFAOYSA-N
XLogP4.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol (CID 12772652) is 4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol is Oc1ccccc1Cc1cc(Cl)cc(Cc2ccccc2O)c1O.
What is the InChIKey of 4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol?
The InChIKey is UOFVFVZZENGXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO3/c21-17-11-15(9-13-5-1-3-7-18(13)22)20(24)16(12-17)10-14-6-2-4-8-19(14)23/h1-8,11-12,22-24H,9-10H2.
What are the key properties of 4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol?
4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol has a molecular weight of 340.81 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-bis[(2-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 12772652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).