2-methoxy-1-(4-phenylmethoxyphenyl)ethanol

C16H18O3 — CID 13050554

IUPAC2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
SMILESCOCC(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H18O3/c1-18-12-16(17)14-7-9-15(10-8-14)19-11-13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3
InChIKeyZXRTUZFHKIEHJZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.95
Rot. Bonds6

About 2-methoxy-1-(4-phenylmethoxyphenyl)ethanol

2-methoxy-1-(4-phenylmethoxyphenyl)ethanol (PubChem CID 13050554) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methoxy-1-(4-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
PubChem CID13050554
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
SMILESCOCC(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H18O3/c1-18-12-16(17)14-7-9-15(10-8-14)19-11-13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3
InChIKeyZXRTUZFHKIEHJZ-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
benzene;2-methoxy-1-phenylethanol
CID 174622919
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
2-[2-(dimethylamino)-2-methylpropoxy]-1-(4-phenylmethoxyphenyl)ethanol;hydrochloride
CID 3076603
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618
4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol
CID 123594321

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-phenylmethoxyphenyl)ethanol?
The IUPAC name of 2-methoxy-1-(4-phenylmethoxyphenyl)ethanol (CID 13050554) is 2-methoxy-1-(4-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for 2-methoxy-1-(4-phenylmethoxyphenyl)ethanol?
The canonical SMILES for 2-methoxy-1-(4-phenylmethoxyphenyl)ethanol is COCC(O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-methoxy-1-(4-phenylmethoxyphenyl)ethanol?
The InChIKey is ZXRTUZFHKIEHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-18-12-16(17)14-7-9-15(10-8-14)19-11-13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3.
What are the key properties of 2-methoxy-1-(4-phenylmethoxyphenyl)ethanol?
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 13050554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).