(4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol

C16H17ClO2 — CID 115795759

IUPAC(4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H17ClO2/c1-3-19-15-7-5-4-6-13(15)16(18)12-8-9-14(17)11(2)10-12/h4-10,16,18H,3H2,1-2H3
InChIKeySCABOTZNBWQDAT-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.13
Rot. Bonds4

About (4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol

(4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol (PubChem CID 115795759) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol
PubChem CID115795759
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name(4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H17ClO2/c1-3-19-15-7-5-4-6-13(15)16(18)12-8-9-14(17)11(2)10-12/h4-10,16,18H,3H2,1-2H3
InChIKeySCABOTZNBWQDAT-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823780
(3,5-dichlorophenyl)-(2-ethoxyphenyl)methanol
CID 63899517
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(3,4-diethylphenyl)-(2-ethoxyphenyl)methanol
CID 115482646
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 115795717
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
(2-ethoxyphenyl)-(2-ethylphenyl)methanol
CID 63900742
(4-chloro-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 115793761
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
CID 61100079
(5-chlorofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 106693712
(4-fluoro-3-methylphenyl)-(2-methoxyphenyl)methanol
CID 60929843

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol?
The IUPAC name of (4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol (CID 115795759) is (4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol?
The canonical SMILES for (4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol is CCOc1ccccc1C(O)c1ccc(Cl)c(C)c1.
What is the InChIKey of (4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol?
The InChIKey is SCABOTZNBWQDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-3-19-15-7-5-4-6-13(15)16(18)12-8-9-14(17)11(2)10-12/h4-10,16,18H,3H2,1-2H3.
What are the key properties of (4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol?
(4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol has a molecular weight of 276.76 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol is sourced from PubChem (CID 115795759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).