4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate

C27H24O4 — CID 22913120

IUPAC4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C27H24O4/c1-2-25(29)31-18-8-7-17-30-24-16-14-20-10-4-6-12-22(20)27(24)26-21-11-5-3-9-19(21)13-15-23(26)28/h2-6,9-16,28H,1,7-8,17-18H2
InChIKeyFJPBNMMWFIIYNJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.25
Rot. Bonds8

About 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate

4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate (PubChem CID 22913120) has the molecular formula C27H24O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate.

Molecular Properties

Compound Name4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate
PubChem CID22913120
Molecular FormulaC27H24O4
Molecular Weight412.49 g/mol
Exact Mass412.17
IUPAC Name4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C27H24O4/c1-2-25(29)31-18-8-7-17-30-24-16-14-20-10-4-6-12-22(20)27(24)26-21-11-5-3-9-19(21)13-15-23(26)28/h2-6,9-16,28H,1,7-8,17-18H2
InChIKeyFJPBNMMWFIIYNJ-UHFFFAOYSA-N
XLogP6.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate 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

1-[2-[4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]naphthalen-2-ol
CID 12008941
6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
CID 20798470
1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
CID 58560218
1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
CID 160621443
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol
CID 22935839
1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol
CID 178030864
2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
CID 118232952
[1-[3-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 118100009
2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate
CID 132528499
4-[[4-naphthalen-1-yloxy-6-(4-prop-2-enoyloxybutoxy)-1,3,5-triazin-2-yl]oxy]butyl prop-2-enoate
CID 118672397

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate?
The IUPAC name of 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate (CID 22913120) is 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate.
What is the SMILES notation for 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate?
The canonical SMILES for 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate is C=CC(=O)OCCCCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate?
The InChIKey is FJPBNMMWFIIYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O4/c1-2-25(29)31-18-8-7-17-30-24-16-14-20-10-4-6-12-22(20)27(24)26-21-11-5-3-9-19(21)13-15-23(26)28/h2-6,9-16,28H,1,7-8,17-18H2.
What are the key properties of 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate?
4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate has a molecular weight of 412.49 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate is sourced from PubChem (CID 22913120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).