[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol

C21H18Cl2O3 — CID 23590539

IUPAC[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol
SMILESOCc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C21H18Cl2O3/c22-18-9-3-1-6-16(18)13-25-20-11-5-8-15(12-24)21(20)26-14-17-7-2-4-10-19(17)23/h1-11,24H,12-14H2
InChIKeyVMSWAJNKNRHSPN-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.64
Rot. Bonds7

About [2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol

[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol (PubChem CID 23590539) has the molecular formula C21H18Cl2O3 and a molecular weight of 389.28 g/mol. Its IUPAC name is [2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol
PubChem CID23590539
Molecular FormulaC21H18Cl2O3
Molecular Weight389.28 g/mol
Exact Mass388.06
IUPAC Name[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol
SMILESOCc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C21H18Cl2O3/c22-18-9-3-1-6-16(18)13-25-20-11-5-8-15(12-24)21(20)26-14-17-7-2-4-10-19(17)23/h1-11,24H,12-14H2
InChIKeyVMSWAJNKNRHSPN-UHFFFAOYSA-N
XLogP5.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 4736676
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 112612839
1,2-bis[(2-chlorophenyl)methoxy]-3-(isocyanomethyl)benzene
CID 23590504
1-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]propane-1,2-dione
CID 23590494
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17206090
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 62496881
[2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046926
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
CID 134094943

Frequently Asked Questions

What is the IUPAC name of [2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol (CID 23590539) is [2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol is OCc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl.
What is the InChIKey of [2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol?
The InChIKey is VMSWAJNKNRHSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2O3/c22-18-9-3-1-6-16(18)13-25-20-11-5-8-15(12-24)21(20)26-14-17-7-2-4-10-19(17)23/h1-11,24H,12-14H2.
What are the key properties of [2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol?
[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol has a molecular weight of 389.28 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 23590539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).