(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol

C15H14Cl2O2 — CID 55133392

IUPAC(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2O2/c1-2-19-12-6-3-10(4-7-12)15(18)11-5-8-13(16)14(17)9-11/h3-9,15,18H,2H2,1H3
InChIKeySJJJTXKMMIACFW-UHFFFAOYSA-N
MW297.18 g/mol
LogP4.47
Rot. Bonds4

About (3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol

(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol (PubChem CID 55133392) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol
PubChem CID55133392
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2O2/c1-2-19-12-6-3-10(4-7-12)15(18)11-5-8-13(16)14(17)9-11/h3-9,15,18H,2H2,1H3
InChIKeySJJJTXKMMIACFW-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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Related Compounds

(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 61100563
(4-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
CID 61101078
(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
CID 115795362
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
CID 81476153
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428546
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol (CID 55133392) is (3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol is CCOc1ccc(C(O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol?
The InChIKey is SJJJTXKMMIACFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-2-19-12-6-3-10(4-7-12)15(18)11-5-8-13(16)14(17)9-11/h3-9,15,18H,2H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol?
(3,4-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 (3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol is sourced from PubChem (CID 55133392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).