2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid

C30H32O4 — CID 57266003

IUPAC2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid
SMILESCCCCc1ccc2c(c1)-c1ccccc1C2=CCOc1ccc(C(C)(OCC)C(=O)O)cc1
InChIInChI=1S/C30H32O4/c1-4-6-9-21-12-17-26-27(24-10-7-8-11-25(24)28(26)20-21)18-19-33-23-15-13-22(14-16-23)30(3,29(31)32)34-5-2/h7-8,10-18,20H,4-6,9,19H2,1-3H3,(H,31,32)
InChIKeyPOFRVNRWWGNZAW-UHFFFAOYSA-N
MW456.58 g/mol
LogP6.86
Rot. Bonds10

About 2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid

2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid (PubChem CID 57266003) has the molecular formula C30H32O4 and a molecular weight of 456.58 g/mol. Its IUPAC name is 2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid.

Molecular Properties

Compound Name2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid
PubChem CID57266003
Molecular FormulaC30H32O4
Molecular Weight456.58 g/mol
Exact Mass456.23
IUPAC Name2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid
SMILESCCCCc1ccc2c(c1)-c1ccccc1C2=CCOc1ccc(C(C)(OCC)C(=O)O)cc1
InChIInChI=1S/C30H32O4/c1-4-6-9-21-12-17-26-27(24-10-7-8-11-25(24)28(26)20-21)18-19-33-23-15-13-22(14-16-23)30(3,29(31)32)34-5-2/h7-8,10-18,20H,4-6,9,19H2,1-3H3,(H,31,32)
InChIKeyPOFRVNRWWGNZAW-UHFFFAOYSA-N
XLogP6.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.58
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539
2-[4-[2-(9H-fluoren-9-yl)ethoxy]phenyl]-2-hexoxypropanoic acid
CID 57206334
ethyl 3-[4-(2-fluoren-9-ylideneethoxy)phenyl]-2-propoxypropanoate
CID 23445763
1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene
CID 54365174
1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 170603027
3-[4-(4-fluoren-9-ylidenebutoxy)phenyl]-2-propoxypropanoic acid
CID 23445778
3-[4-[2-(4,5-dimethylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 23445848
2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide
CID 90967112
ethyl 3-[4-[(2E)-2-(4-butoxyfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoate
CID 23446036
2-ethoxy-2-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid
CID 142159585
2-[4-[4-(9H-fluoren-9-yl)butoxy]phenyl]-2-methoxypropanoic acid
CID 57110018
2-butoxy-2-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
CID 70299031

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid?
The IUPAC name of 2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid (CID 57266003) is 2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid.
What is the SMILES notation for 2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid?
The canonical SMILES for 2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid is CCCCc1ccc2c(c1)-c1ccccc1C2=CCOc1ccc(C(C)(OCC)C(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid?
The InChIKey is POFRVNRWWGNZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O4/c1-4-6-9-21-12-17-26-27(24-10-7-8-11-25(24)28(26)20-21)18-19-33-23-15-13-22(14-16-23)30(3,29(31)32)34-5-2/h7-8,10-18,20H,4-6,9,19H2,1-3H3,(H,31,32).
What are the key properties of 2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid?
2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid has a molecular weight of 456.58 g/mol, XLogP of 6.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-butylfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoic acid is sourced from PubChem (CID 57266003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).