(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol

C15H14Cl2O2 — CID 61100563

IUPAC(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H14Cl2O2/c1-2-19-11-8-6-10(7-9-11)15(18)14-12(16)4-3-5-13(14)17/h3-9,15,18H,2H2,1H3
InChIKeyHTDHDPCCWKSEKY-UHFFFAOYSA-N
MW297.18 g/mol
LogP4.47
Rot. Bonds4

About (2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol

(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol (PubChem CID 61100563) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
PubChem CID61100563
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H14Cl2O2/c1-2-19-11-8-6-10(7-9-11)15(18)14-12(16)4-3-5-13(14)17/h3-9,15,18H,2H2,1H3
InChIKeyHTDHDPCCWKSEKY-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol?
The IUPAC name of (2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol (CID 61100563) is (2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol.
What is the SMILES notation for (2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol?
The canonical SMILES for (2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol is CCOc1ccc(C(O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol?
The InChIKey is HTDHDPCCWKSEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-2-19-11-8-6-10(7-9-11)15(18)14-12(16)4-3-5-13(14)17/h3-9,15,18H,2H2,1H3.
What are the key properties of (2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol?
(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol has a molecular weight of 297.18 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol is sourced from PubChem (CID 61100563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).