1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol

C17H20O2 — CID 82089007

IUPAC1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2ccc(C(C)O)cc2C)cc1
InChIInChI=1S/C17H20O2/c1-12-4-6-15(7-5-12)11-19-17-9-8-16(14(3)18)10-13(17)2/h4-10,14,18H,11H2,1-3H3
InChIKeyQEGFQQLMVYCIGB-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.94
Rot. Bonds4

About 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol

1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol (PubChem CID 82089007) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
PubChem CID82089007
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2ccc(C(C)O)cc2C)cc1
InChIInChI=1S/C17H20O2/c1-12-4-6-15(7-5-12)11-19-17-9-8-16(14(3)18)10-13(17)2/h4-10,14,18H,11H2,1-3H3
InChIKeyQEGFQQLMVYCIGB-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
2-[4-[(2,4-dimethylphenoxy)methyl]phenyl]propanoic acid
CID 105344783
[4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 169301996
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol;ethane
CID 91382169
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 59964196
2,2-dichloro-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 164893082
[3-methyl-4-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 63549727
(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 113387010

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol (CID 82089007) is 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol is Cc1ccc(COc2ccc(C(C)O)cc2C)cc1.
What is the InChIKey of 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol?
The InChIKey is QEGFQQLMVYCIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12-4-6-15(7-5-12)11-19-17-9-8-16(14(3)18)10-13(17)2/h4-10,14,18H,11H2,1-3H3.
What are the key properties of 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol?
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol has a molecular weight of 256.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 82089007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).