[4-(4-hexoxyphenyl)phenyl]-methoxymethanol

C20H26O3 — CID 163939935

IUPAC[4-(4-hexoxyphenyl)phenyl]-methoxymethanol
SMILESCCCCCCOc1ccc(-c2ccc(C(O)OC)cc2)cc1
InChIInChI=1S/C20H26O3/c1-3-4-5-6-15-23-19-13-11-17(12-14-19)16-7-9-18(10-8-16)20(21)22-2/h7-14,20-21H,3-6,15H2,1-2H3
InChIKeyRQDBDPLCPAGHQW-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.95
Rot. Bonds9

About [4-(4-hexoxyphenyl)phenyl]-methoxymethanol

[4-(4-hexoxyphenyl)phenyl]-methoxymethanol (PubChem CID 163939935) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is [4-(4-hexoxyphenyl)phenyl]-methoxymethanol.

Molecular Properties

Compound Name[4-(4-hexoxyphenyl)phenyl]-methoxymethanol
PubChem CID163939935
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name[4-(4-hexoxyphenyl)phenyl]-methoxymethanol
SMILESCCCCCCOc1ccc(-c2ccc(C(O)OC)cc2)cc1
InChIInChI=1S/C20H26O3/c1-3-4-5-6-15-23-19-13-11-17(12-14-19)16-7-9-18(10-8-16)20(21)22-2/h7-14,20-21H,3-6,15H2,1-2H3
InChIKeyRQDBDPLCPAGHQW-UHFFFAOYSA-N
XLogP4.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
CID 134401499
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
bis(4-octoxyphenyl)methanol
CID 139262063
2-[4-(4-octoxyphenyl)phenyl]propane-1,3-diol
CID 70414830
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol
CID 70442593
4-(4-heptoxyphenyl)benzenethiol
CID 70387971
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
4-(4-hexoxyphenyl)benzenethiol
CID 70387562
1-(1-dodecoxyethyl)-4-(4-undecoxyphenyl)benzene
CID 139693522

Frequently Asked Questions

What is the IUPAC name of [4-(4-hexoxyphenyl)phenyl]-methoxymethanol?
The IUPAC name of [4-(4-hexoxyphenyl)phenyl]-methoxymethanol (CID 163939935) is [4-(4-hexoxyphenyl)phenyl]-methoxymethanol.
What is the SMILES notation for [4-(4-hexoxyphenyl)phenyl]-methoxymethanol?
The canonical SMILES for [4-(4-hexoxyphenyl)phenyl]-methoxymethanol is CCCCCCOc1ccc(-c2ccc(C(O)OC)cc2)cc1.
What is the InChIKey of [4-(4-hexoxyphenyl)phenyl]-methoxymethanol?
The InChIKey is RQDBDPLCPAGHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-3-4-5-6-15-23-19-13-11-17(12-14-19)16-7-9-18(10-8-16)20(21)22-2/h7-14,20-21H,3-6,15H2,1-2H3.
What are the key properties of [4-(4-hexoxyphenyl)phenyl]-methoxymethanol?
[4-(4-hexoxyphenyl)phenyl]-methoxymethanol has a molecular weight of 314.43 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hexoxyphenyl)phenyl]-methoxymethanol is sourced from PubChem (CID 163939935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).