4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol

C33H48O4 — CID 142281782

IUPAC4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol
SMILESC=C(CO)CCOc1cc(OCCOC)cc(-c2ccc(C3CCC(CCCCC)CC3)cc2CC)c1
InChIInChI=1S/C33H48O4/c1-5-7-8-9-26-10-12-28(13-11-26)29-14-15-33(27(6-2)20-29)30-21-31(36-17-16-25(3)24-34)23-32(22-30)37-19-18-35-4/h14-15,20-23,26,28,34H,3,5-13,16-19,24H2,1-2,4H3
InChIKeyFUZIDFULBFYNRF-UHFFFAOYSA-N
MW508.74 g/mol
LogP8.11
Rot. Bonds16

About 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol

4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol (PubChem CID 142281782) has the molecular formula C33H48O4 and a molecular weight of 508.74 g/mol. Its IUPAC name is 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol.

Molecular Properties

Compound Name4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol
PubChem CID142281782
Molecular FormulaC33H48O4
Molecular Weight508.74 g/mol
Exact Mass508.36
IUPAC Name4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol
SMILESC=C(CO)CCOc1cc(OCCOC)cc(-c2ccc(C3CCC(CCCCC)CC3)cc2CC)c1
InChIInChI=1S/C33H48O4/c1-5-7-8-9-26-10-12-28(13-11-26)29-14-15-33(27(6-2)20-29)30-21-31(36-17-16-25(3)24-34)23-32(22-30)37-19-18-35-4/h14-15,20-23,26,28,34H,3,5-13,16-19,24H2,1-2,4H3
InChIKeyFUZIDFULBFYNRF-UHFFFAOYSA-N
XLogP8.11
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.74
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol with MolForge

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Related Compounds

4-[3-[2-ethyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol
CID 135247773
4-[5-[2-ethyl-4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol
CID 135247770
2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[2-methyl-4-(4-pentylcyclohexyl)phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 134244892
2-[3-(2-methoxyethoxy)-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 145275825
4-[3-[3-(hydroxymethyl)but-3-enoxy]-5-[2-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]phenyl]phenoxy]-2-methylidenebutan-1-ol
CID 135247515
2-[3-[6-hydroxy-5-(hydroxymethyl)-3-methylidenehexoxy]-5-[4-(4-pentylcyclohexyl)phenyl]phenoxy]ethyl 5-hydroxy-4-(hydroxymethyl)-2-methylidenepentanoate
CID 142282622
N-[2-[4-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenoxy]ethyl]-2-methylprop-2-enamide
CID 135214961
3-[5-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-2-(2-hydroxyethoxy)-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate
CID 134526949
[2-[4-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]-3-[2-(methoxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 138711628
2-[5-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-2-(2-hydroxyethoxy)phenyl]ethyl 2-methylprop-2-enoate
CID 134193415
2-[3-[3-(hydroxymethyl)but-3-enoxy]-5-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]cyclohexa-1,5-dien-1-yl]phenoxy]ethyl prop-2-enoate
CID 142282569
[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol
CID 118150513

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol?
The IUPAC name of 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol (CID 142281782) is 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol.
What is the SMILES notation for 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol?
The canonical SMILES for 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol is C=C(CO)CCOc1cc(OCCOC)cc(-c2ccc(C3CCC(CCCCC)CC3)cc2CC)c1.
What is the InChIKey of 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol?
The InChIKey is FUZIDFULBFYNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48O4/c1-5-7-8-9-26-10-12-28(13-11-26)29-14-15-33(27(6-2)20-29)30-21-31(36-17-16-25(3)24-34)23-32(22-30)37-19-18-35-4/h14-15,20-23,26,28,34H,3,5-13,16-19,24H2,1-2,4H3.
What are the key properties of 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol?
4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol has a molecular weight of 508.74 g/mol, XLogP of 8.11, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol is sourced from PubChem (CID 142281782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).