4-[(2,5-dichlorophenyl)methyl]phenol

C13H10Cl2O — CID 21272497

IUPAC4-[(2,5-dichlorophenyl)methyl]phenol
SMILESOc1ccc(Cc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H10Cl2O/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2
InChIKeyZJPIAKVVQILNPZ-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.29
Rot. Bonds2

About 4-[(2,5-dichlorophenyl)methyl]phenol

4-[(2,5-dichlorophenyl)methyl]phenol (PubChem CID 21272497) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)methyl]phenol
PubChem CID21272497
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name4-[(2,5-dichlorophenyl)methyl]phenol
SMILESOc1ccc(Cc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H10Cl2O/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2
InChIKeyZJPIAKVVQILNPZ-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,5-dichlorophenyl)methyl]aniline
CID 21272493
4-amino-3-[(4-chlorophenyl)methyl]phenol
CID 105493763
4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol
CID 175432129
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one
CID 161028075
4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol
CID 21288827
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 58239079
4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
CID 61237272
1,4-dichloro-2-(fluoromethyl)benzene
CID 175609206
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
(2,5-dichlorophenyl)methanethiol
CID 21489083
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)methyl]phenol?
The IUPAC name of 4-[(2,5-dichlorophenyl)methyl]phenol (CID 21272497) is 4-[(2,5-dichlorophenyl)methyl]phenol.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)methyl]phenol?
The canonical SMILES for 4-[(2,5-dichlorophenyl)methyl]phenol is Oc1ccc(Cc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)methyl]phenol?
The InChIKey is ZJPIAKVVQILNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2.
What are the key properties of 4-[(2,5-dichlorophenyl)methyl]phenol?
4-[(2,5-dichlorophenyl)methyl]phenol has a molecular weight of 253.13 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)methyl]phenol is sourced from PubChem (CID 21272497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).