2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane

C43H54O5 — CID 145231729

IUPAC2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane
SMILESCCCC(C)(CC)C(=O)OCCOc1ccc(C2(c3ccc(OCCOC)cc3)c3ccccc3-c3ccccc32)cc1.CCCCC
InChIInChI=1S/C38H42O5.C5H12/c1-5-23-37(3,6-2)36(39)43-27-26-42-31-21-17-29(18-22-31)38(28-15-19-30(20-16-28)41-25-24-40-4)34-13-9-7-11-32(34)33-12-8-10-14-35(33)38;1-3-5-4-2/h7-22H,5-6,23-27H2,1-4H3;3-5H2,1-2H3
InChIKeyMBJFYDXCFHNSMK-UHFFFAOYSA-N
MW650.90 g/mol
LogP10.41
Rot. Bonds16

About 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane

2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane (PubChem CID 145231729) has the molecular formula C43H54O5 and a molecular weight of 650.90 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane.

Molecular Properties

Compound Name2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane
PubChem CID145231729
Molecular FormulaC43H54O5
Molecular Weight650.90 g/mol
Exact Mass650.40
IUPAC Name2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane
SMILESCCCC(C)(CC)C(=O)OCCOc1ccc(C2(c3ccc(OCCOC)cc3)c3ccccc3-c3ccccc32)cc1.CCCCC
InChIInChI=1S/C38H42O5.C5H12/c1-5-23-37(3,6-2)36(39)43-27-26-42-31-21-17-29(18-22-31)38(28-15-19-30(20-16-28)41-25-24-40-4)34-13-9-7-11-32(34)33-12-8-10-14-35(33)38;1-3-5-4-2/h7-22H,5-6,23-27H2,1-4H3;3-5H2,1-2H3
InChIKeyMBJFYDXCFHNSMK-UHFFFAOYSA-N
XLogP10.41
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.90
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane 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

5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate
CID 143766876
9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene
CID 146564028
9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene
CID 71465071
2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl benzoate;2-methoxyethyl benzoate;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(propan-2-one)
CID 159498540
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene
CID 134525030
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate
CID 71033273

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane?
The IUPAC name of 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane (CID 145231729) is 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane.
What is the SMILES notation for 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane?
The canonical SMILES for 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane is CCCC(C)(CC)C(=O)OCCOc1ccc(C2(c3ccc(OCCOC)cc3)c3ccccc3-c3ccccc32)cc1.CCCCC.
What is the InChIKey of 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane?
The InChIKey is MBJFYDXCFHNSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42O5.C5H12/c1-5-23-37(3,6-2)36(39)43-27-26-42-31-21-17-29(18-22-31)38(28-15-19-30(20-16-28)41-25-24-40-4)34-13-9-7-11-32(34)33-12-8-10-14-35(33)38;1-3-5-4-2/h7-22H,5-6,23-27H2,1-4H3;3-5H2,1-2H3.
What are the key properties of 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane?
2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane has a molecular weight of 650.90 g/mol, XLogP of 10.41, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane is sourced from PubChem (CID 145231729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).