(2-ethoxyphenyl)-(3-propoxyphenyl)methanol

C18H22O3 — CID 63894023

IUPAC(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2ccccc2OCC)c1
InChIInChI=1S/C18H22O3/c1-3-12-21-15-9-7-8-14(13-15)18(19)16-10-5-6-11-17(16)20-4-2/h5-11,13,18-19H,3-4,12H2,1-2H3
InChIKeyGXTJESBFPGJSBJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.96
Rot. Bonds7

About (2-ethoxyphenyl)-(3-propoxyphenyl)methanol

(2-ethoxyphenyl)-(3-propoxyphenyl)methanol (PubChem CID 63894023) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(3-propoxyphenyl)methanol.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
PubChem CID63894023
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2ccccc2OCC)c1
InChIInChI=1S/C18H22O3/c1-3-12-21-15-9-7-8-14(13-15)18(19)16-10-5-6-11-17(16)20-4-2/h5-11,13,18-19H,3-4,12H2,1-2H3
InChIKeyGXTJESBFPGJSBJ-UHFFFAOYSA-N
XLogP3.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
(3-propoxyphenyl)-(4-propylphenyl)methanol
CID 62919013
(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
CID 63425956
(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol
CID 62919523
1-benzothiophen-7-yl-(3-propoxyphenyl)methanol
CID 81131839
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
(3,4-diethylphenyl)-(2-ethoxyphenyl)methanol
CID 115482646
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(3,5-dichlorophenyl)-(2-ethoxyphenyl)methanol
CID 63899517

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(3-propoxyphenyl)methanol?
The IUPAC name of (2-ethoxyphenyl)-(3-propoxyphenyl)methanol (CID 63894023) is (2-ethoxyphenyl)-(3-propoxyphenyl)methanol.
What is the SMILES notation for (2-ethoxyphenyl)-(3-propoxyphenyl)methanol?
The canonical SMILES for (2-ethoxyphenyl)-(3-propoxyphenyl)methanol is CCCOc1cccc(C(O)c2ccccc2OCC)c1.
What is the InChIKey of (2-ethoxyphenyl)-(3-propoxyphenyl)methanol?
The InChIKey is GXTJESBFPGJSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-3-12-21-15-9-7-8-14(13-15)18(19)16-10-5-6-11-17(16)20-4-2/h5-11,13,18-19H,3-4,12H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-(3-propoxyphenyl)methanol?
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol has a molecular weight of 286.37 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(3-propoxyphenyl)methanol is sourced from PubChem (CID 63894023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).