butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

C18H20O3 — CID 10221471

IUPACbutyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
SMILESCCCCOC(=O)/C=C/c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H20O3/c1-3-4-11-21-18(19)10-6-14-5-7-16-13-17(20-2)9-8-15(16)12-14/h5-10,12-13H,3-4,11H2,1-2H3/b10-6+
InChIKeyRLSBCINFGATEIA-UXBLZVDNSA-N
MW284.36 g/mol
LogP4.20
Rot. Bonds6

About butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate (PubChem CID 10221471) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namebutyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
PubChem CID10221471
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namebutyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
SMILESCCCCOC(=O)/C=C/c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H20O3/c1-3-4-11-21-18(19)10-6-14-5-7-16-13-17(20-2)9-8-15(16)12-14/h5-10,12-13H,3-4,11H2,1-2H3/b10-6+
InChIKeyRLSBCINFGATEIA-UXBLZVDNSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 176901661
2-butoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6450437
butyl (E)-3-[3-(3-methoxyphenyl)phenyl]prop-2-enoate
CID 102391690
3-aminopropyl (E)-3-(4-methoxyphenyl)prop-2-enoate;hydrochloride
CID 175106666
pentyl (E)-3-(4-methoxyphenyl)prop-2-enoate;tetrapentacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153-heptaheptacontayne
CID 163634936
butyl 3-(3-fluoro-4-hydroxyphenyl)prop-2-enoate
CID 77267688
butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 70069057
3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 166189696
butyl (E)-3-(4-methoxyphenyl)prop-2-enoate;butyl prop-2-enoate;1-chloro-4-methoxybenzene;methane
CID 159862515
hexyl 3-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoate
CID 90727035

Frequently Asked Questions

What is the IUPAC name of butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The IUPAC name of butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate (CID 10221471) is butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate is CCCCOC(=O)/C=C/c1ccc2cc(OC)ccc2c1.
What is the InChIKey of butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The InChIKey is RLSBCINFGATEIA-UXBLZVDNSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-4-11-21-18(19)10-6-14-5-7-16-13-17(20-2)9-8-15(16)12-14/h5-10,12-13H,3-4,11H2,1-2H3/b10-6+.
What are the key properties of butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate has a molecular weight of 284.36 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 10221471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).