4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol

C22H30O3 — CID 23556512

IUPAC4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
SMILESCCOC(C)Oc1ccc(C(CC)CC(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H30O3/c1-5-18(15-16(3)19-7-11-21(23)12-8-19)20-9-13-22(14-10-20)25-17(4)24-6-2/h7-14,16-18,23H,5-6,15H2,1-4H3
InChIKeyQOIYXSJPWDSMNS-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.84
Rot. Bonds9

About 4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol

4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol (PubChem CID 23556512) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol.

Molecular Properties

Compound Name4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
PubChem CID23556512
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
SMILESCCOC(C)Oc1ccc(C(CC)CC(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H30O3/c1-5-18(15-16(3)19-7-11-21(23)12-8-19)20-9-13-22(14-10-20)25-17(4)24-6-2/h7-14,16-18,23H,5-6,15H2,1-4H3
InChIKeyQOIYXSJPWDSMNS-UHFFFAOYSA-N
XLogP5.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol
CID 54358686
4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol
CID 59058324
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
2-[3-[4-(1-ethoxyethoxy)phenyl]-1-(4-hydroxyphenyl)pentyl]-3-methylbutanedinitrile
CID 20725431
tert-butyl [4-[5-[4-(1-ethoxyethoxy)phenyl]-9-(4-ethylphenyl)-7,11-bis(4-hydroxyphenyl)dodecan-3-yl]phenyl] carbonate
CID 22088342
2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone
CID 20702512
2-[1-[4-[5-(4-propan-2-yloxyphenyl)hexan-3-yl]phenoxy]ethoxy]ethanol
CID 145290862
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;(4-butan-2-ylphenyl) methyl carbonate
CID 91394144
2-[4-[4-(1-ethoxyethoxy)phenyl]-2-(4-hydroxyphenyl)pentyl]-3-methylbutanedinitrile;methyl 2-[4-[4-(4-hydroxyphenyl)-6-phenyloctan-2-yl]phenoxy]acetate
CID 91138259
4-[4-(4-chlorophenyl)hexan-2-yl]phenol
CID 130398550
4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
CID 23546598
4-[6-[4-(1-ethoxyethoxy)phenyl]-2-ethyl-4-(4-hydroxyphenyl)heptanoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonic acid
CID 177097770

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol?
The IUPAC name of 4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol (CID 23556512) is 4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol.
What is the SMILES notation for 4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol?
The canonical SMILES for 4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol is CCOC(C)Oc1ccc(C(CC)CC(C)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol?
The InChIKey is QOIYXSJPWDSMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-5-18(15-16(3)19-7-11-21(23)12-8-19)20-9-13-22(14-10-20)25-17(4)24-6-2/h7-14,16-18,23H,5-6,15H2,1-4H3.
What are the key properties of 4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol?
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol has a molecular weight of 342.48 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol is sourced from PubChem (CID 23556512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).