4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol

C33H44O5 — CID 54358686

IUPAC4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol
SMILESCCCOC(C)Oc1ccc(C(CC)CC(CC(C)c2ccc(O)cc2)c2ccc(OC(C)O)cc2)cc1
InChIInChI=1S/C33H44O5/c1-6-20-36-25(5)38-33-18-10-28(11-19-33)26(7-2)22-30(21-23(3)27-8-14-31(35)15-9-27)29-12-16-32(17-13-29)37-24(4)34/h8-19,23-26,30,34-35H,6-7,20-22H2,1-5H3
InChIKeyUKXYNJMHDNRLNJ-UHFFFAOYSA-N
MW520.71 g/mol
LogP8.12
Rot. Bonds15

About 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol

4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol (PubChem CID 54358686) has the molecular formula C33H44O5 and a molecular weight of 520.71 g/mol. Its IUPAC name is 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol.

Molecular Properties

Compound Name4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol
PubChem CID54358686
Molecular FormulaC33H44O5
Molecular Weight520.71 g/mol
Exact Mass520.32
IUPAC Name4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol
SMILESCCCOC(C)Oc1ccc(C(CC)CC(CC(C)c2ccc(O)cc2)c2ccc(OC(C)O)cc2)cc1
InChIInChI=1S/C33H44O5/c1-6-20-36-25(5)38-33-18-10-28(11-19-33)26(7-2)22-30(21-23(3)27-8-14-31(35)15-9-27)29-12-16-32(17-13-29)37-24(4)34/h8-19,23-26,30,34-35H,6-7,20-22H2,1-5H3
InChIKeyUKXYNJMHDNRLNJ-UHFFFAOYSA-N
XLogP8.12
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.71
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol
CID 59058324
2-[1-[4-[5-(4-propan-2-yloxyphenyl)hexan-3-yl]phenoxy]ethoxy]ethanol
CID 145290862
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
4-[4-(4-tert-butylphenyl)-8-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-6-(4-propan-2-yloxyphenyl)decan-2-yl]phenol
CID 20758424
tert-butyl 6-[4-(1-butoxyethoxy)phenyl]-2-ethyl-4-(4-hydroxyphenyl)heptanoate
CID 156673787
tert-butyl [4-[5-[4-(1-ethoxyethoxy)phenyl]-9-(4-ethylphenyl)-7,11-bis(4-hydroxyphenyl)dodecan-3-yl]phenyl] carbonate
CID 22088342
2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 4-tert-butylcyclohexane-1-carboxylate
CID 18724486
2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone
CID 20702512
4-[4-(4-chlorophenyl)hexan-2-yl]phenol
CID 130398550
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
[4-[2-(4-hydroxyphenyl)-6-phenyloctan-4-yl]phenyl] 2,2-dimethylpropanoate
CID 54232468

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol?
The IUPAC name of 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol (CID 54358686) is 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol.
What is the SMILES notation for 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol?
The canonical SMILES for 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol is CCCOC(C)Oc1ccc(C(CC)CC(CC(C)c2ccc(O)cc2)c2ccc(OC(C)O)cc2)cc1.
What is the InChIKey of 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol?
The InChIKey is UKXYNJMHDNRLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44O5/c1-6-20-36-25(5)38-33-18-10-28(11-19-33)26(7-2)22-30(21-23(3)27-8-14-31(35)15-9-27)29-12-16-32(17-13-29)37-24(4)34/h8-19,23-26,30,34-35H,6-7,20-22H2,1-5H3.
What are the key properties of 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol?
4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol has a molecular weight of 520.71 g/mol, XLogP of 8.12, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol is sourced from PubChem (CID 54358686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).