[3-methoxy-4-(2-phenylethoxy)phenyl]methanol

C16H18O3 — CID 28562144

IUPAC[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
SMILESCOc1cc(CO)ccc1OCCc1ccccc1
InChIInChI=1S/C16H18O3/c1-18-16-11-14(12-17)7-8-15(16)19-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3
InChIKeyDWUGACVOVBAFFL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.81
Rot. Bonds6

About [3-methoxy-4-(2-phenylethoxy)phenyl]methanol

[3-methoxy-4-(2-phenylethoxy)phenyl]methanol (PubChem CID 28562144) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is [3-methoxy-4-(2-phenylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
PubChem CID28562144
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
SMILESCOc1cc(CO)ccc1OCCc1ccccc1
InChIInChI=1S/C16H18O3/c1-18-16-11-14(12-17)7-8-15(16)19-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3
InChIKeyDWUGACVOVBAFFL-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride
CID 17333168
[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]propanoic acid
CID 66527971
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]acetonitrile
CID 4724686
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate
CID 7139445
2-(4-fluorophenyl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 4724668
1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 78917301
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2-phenylethoxy)phenyl]methanol?
The IUPAC name of [3-methoxy-4-(2-phenylethoxy)phenyl]methanol (CID 28562144) is [3-methoxy-4-(2-phenylethoxy)phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-(2-phenylethoxy)phenyl]methanol?
The canonical SMILES for [3-methoxy-4-(2-phenylethoxy)phenyl]methanol is COc1cc(CO)ccc1OCCc1ccccc1.
What is the InChIKey of [3-methoxy-4-(2-phenylethoxy)phenyl]methanol?
The InChIKey is DWUGACVOVBAFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-18-16-11-14(12-17)7-8-15(16)19-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of [3-methoxy-4-(2-phenylethoxy)phenyl]methanol?
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol has a molecular weight of 258.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2-phenylethoxy)phenyl]methanol is sourced from PubChem (CID 28562144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).