methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol

C17H20O4 — CID 134401499

IUPACmethoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
SMILESCOCCOc1ccc(-c2ccc(C(O)OC)cc2)cc1
InChIInChI=1S/C17H20O4/c1-19-11-12-21-16-9-7-14(8-10-16)13-3-5-15(6-4-13)17(18)20-2/h3-10,17-18H,11-12H2,1-2H3
InChIKeyBRVKDOAZYZGJHT-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.02
Rot. Bonds7

About methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol

methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol (PubChem CID 134401499) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol.

Molecular Properties

Compound Namemethoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
PubChem CID134401499
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Namemethoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
SMILESCOCCOc1ccc(-c2ccc(C(O)OC)cc2)cc1
InChIInChI=1S/C17H20O4/c1-19-11-12-21-16-9-7-14(8-10-16)13-3-5-15(6-4-13)17(18)20-2/h3-10,17-18H,11-12H2,1-2H3
InChIKeyBRVKDOAZYZGJHT-UHFFFAOYSA-N
XLogP3.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-(4-hexoxyphenyl)phenyl]-methoxymethanol
CID 163939935
2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 112512422
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
1-[4-(2-methoxyethoxy)phenyl]-4-sulfanylbutane-1,2-diol
CID 171874667
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methanedithiol
CID 59102227
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
N-acetyl-2-[4-(2-methoxyethoxy)phenyl]propanamide
CID 71176755

Frequently Asked Questions

What is the IUPAC name of methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol?
The IUPAC name of methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol (CID 134401499) is methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol.
What is the SMILES notation for methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol?
The canonical SMILES for methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol is COCCOc1ccc(-c2ccc(C(O)OC)cc2)cc1.
What is the InChIKey of methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol?
The InChIKey is BRVKDOAZYZGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-19-11-12-21-16-9-7-14(8-10-16)13-3-5-15(6-4-13)17(18)20-2/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol?
methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol has a molecular weight of 288.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol is sourced from PubChem (CID 134401499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).