butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate

C17H18O3 — CID 176901661

IUPACbutyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
SMILESCCCCOC(=O)C=Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H18O3/c1-2-3-10-20-17(19)9-5-13-4-6-15-12-16(18)8-7-14(15)11-13/h4-9,11-12,18H,2-3,10H2,1H3
InChIKeyIZVAZKQNDLWTPX-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.90
Rot. Bonds5

About butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate

butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate (PubChem CID 176901661) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namebutyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
PubChem CID176901661
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namebutyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
SMILESCCCCOC(=O)C=Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H18O3/c1-2-3-10-20-17(19)9-5-13-4-6-15-12-16(18)8-7-14(15)11-13/h4-9,11-12,18H,2-3,10H2,1H3
InChIKeyIZVAZKQNDLWTPX-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
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 (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
butyl 3-(3-fluoro-4-hydroxyphenyl)prop-2-enoate
CID 77267688
pentyl (E)-3-(3-hydroxyphenyl)prop-2-enoate
CID 134086980
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
hexacosyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 516554
butyl 3-(4-propoxyphenyl)prop-2-enoate
CID 130331854
decyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 71391747
hentriacontyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 71375800
tricosyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 162975742
heptyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 12034742

Frequently Asked Questions

What is the IUPAC name of butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate?
The IUPAC name of butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate (CID 176901661) is butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate is CCCCOC(=O)C=Cc1ccc2cc(O)ccc2c1.
What is the InChIKey of butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate?
The InChIKey is IZVAZKQNDLWTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-3-10-20-17(19)9-5-13-4-6-15-12-16(18)8-7-14(15)11-13/h4-9,11-12,18H,2-3,10H2,1H3.
What are the key properties of butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate?
butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate has a molecular weight of 270.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 176901661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).