1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol

C18H22O3 — CID 65445812

IUPAC1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol
SMILESCOc1ccc(CCOc2ccc(C)cc2C(C)O)cc1
InChIInChI=1S/C18H22O3/c1-13-4-9-18(17(12-13)14(2)19)21-11-10-15-5-7-16(20-3)8-6-15/h4-9,12,14,19H,10-11H2,1-3H3
InChIKeyHLYVLHZQFFRCIP-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.68
Rot. Bonds6

About 1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol

1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol (PubChem CID 65445812) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol
PubChem CID65445812
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol
SMILESCOc1ccc(CCOc2ccc(C)cc2C(C)O)cc1
InChIInChI=1S/C18H22O3/c1-13-4-9-18(17(12-13)14(2)19)21-11-10-15-5-7-16(20-3)8-6-15/h4-9,12,14,19H,10-11H2,1-3H3
InChIKeyHLYVLHZQFFRCIP-UHFFFAOYSA-N
XLogP3.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446198
(1S)-1-[5-bromo-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 79007137
(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65447336
(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol
CID 78933854
[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]methanol
CID 65446582
1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446390
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107720305
4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene
CID 115402000
(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 82887705

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol?
The IUPAC name of 1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol (CID 65445812) is 1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol?
The canonical SMILES for 1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol is COc1ccc(CCOc2ccc(C)cc2C(C)O)cc1.
What is the InChIKey of 1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol?
The InChIKey is HLYVLHZQFFRCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-13-4-9-18(17(12-13)14(2)19)21-11-10-15-5-7-16(20-3)8-6-15/h4-9,12,14,19H,10-11H2,1-3H3.
What are the key properties of 1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol?
1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol has a molecular weight of 286.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol is sourced from PubChem (CID 65445812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).