2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol

C29H30O4 — CID 170219220

IUPAC2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol
SMILESC/C=C\C1=C(C)C(c2ccc(OCCO)cc2)(c2ccc(OCCO)cc2)c2ccccc21
InChIInChI=1S/C29H30O4/c1-3-6-26-21(2)29(28-8-5-4-7-27(26)28,22-9-13-24(14-10-22)32-19-17-30)23-11-15-25(16-12-23)33-20-18-31/h3-16,30-31H,17-20H2,1-2H3/b6-3-
InChIKeyVUHJRPJYGVYQDO-UTCJRWHESA-N
MW442.56 g/mol
LogP5.13
Rot. Bonds9

About 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol

2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol (PubChem CID 170219220) has the molecular formula C29H30O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol
PubChem CID170219220
Molecular FormulaC29H30O4
Molecular Weight442.56 g/mol
Exact Mass442.21
IUPAC Name2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol
SMILESC/C=C\C1=C(C)C(c2ccc(OCCO)cc2)(c2ccc(OCCO)cc2)c2ccccc21
InChIInChI=1S/C29H30O4/c1-3-6-26-21(2)29(28-8-5-4-7-27(26)28,22-9-13-24(14-10-22)32-19-17-30)23-11-15-25(16-12-23)33-20-18-31/h3-16,30-31H,17-20H2,1-2H3/b6-3-
InChIKeyVUHJRPJYGVYQDO-UTCJRWHESA-N
XLogP5.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol with MolForge

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Related Compounds

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
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
2-[4-[3-ethynyl-1-[4-(2-hydroxyethoxy)phenyl]-2-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethyl prop-2-enoate
CID 170291298
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate
CID 71033273
2-[4-[11-[4-(2-hydroxyethoxy)phenyl]-7,8-dimethylindeno[1,2-b]quinoxalin-11-yl]phenoxy]ethanol
CID 170065547
2-ethyl-1-[2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethoxy]-2-methylbut-3-en-1-ol
CID 126703897
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
2-(4-prop-1-enylphenoxy)ethanol
CID 54412247
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
CID 171457364
2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
CID 67052233

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol (CID 170219220) is 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol is C/C=C\C1=C(C)C(c2ccc(OCCO)cc2)(c2ccc(OCCO)cc2)c2ccccc21.
What is the InChIKey of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol?
The InChIKey is VUHJRPJYGVYQDO-UTCJRWHESA-N. The full InChI is InChI=1S/C29H30O4/c1-3-6-26-21(2)29(28-8-5-4-7-27(26)28,22-9-13-24(14-10-22)32-19-17-30)23-11-15-25(16-12-23)33-20-18-31/h3-16,30-31H,17-20H2,1-2H3/b6-3-.
What are the key properties of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol?
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol has a molecular weight of 442.56 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol is sourced from PubChem (CID 170219220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).