2-(4-methoxyphenyl)prop-1-enylboronic acid

C10H13BO3 — CID 174428256

IUPAC2-(4-methoxyphenyl)prop-1-enylboronic acid
SMILESCOc1ccc(C(C)=CB(O)O)cc1
InChIInChI=1S/C10H13BO3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7,12-13H,1-2H3
InChIKeyKLWHVHLCIJMIMC-UHFFFAOYSA-N
MW192.02 g/mol
LogP1.11
Rot. Bonds3

About 2-(4-methoxyphenyl)prop-1-enylboronic acid

2-(4-methoxyphenyl)prop-1-enylboronic acid (PubChem CID 174428256) has the molecular formula C10H13BO3 and a molecular weight of 192.02 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)prop-1-enylboronic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)prop-1-enylboronic acid
PubChem CID174428256
Molecular FormulaC10H13BO3
Molecular Weight192.02 g/mol
Exact Mass192.10
IUPAC Name2-(4-methoxyphenyl)prop-1-enylboronic acid
SMILESCOc1ccc(C(C)=CB(O)O)cc1
InChIInChI=1S/C10H13BO3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7,12-13H,1-2H3
InChIKeyKLWHVHLCIJMIMC-UHFFFAOYSA-N
XLogP1.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.02
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine
CID 155208974
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene
CID 175080674
4-(4-methoxyphenyl)pent-3-enoic acid
CID 57142531
(4E,6Z)-7-(4-methoxyphenyl)-3-methylocta-2,4,6-trienoic acid
CID 173292935
CID 12714057
CID 12714057
(2E,4E)-5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 14347285
5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 54069539
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)prop-1-enylboronic acid?
The IUPAC name of 2-(4-methoxyphenyl)prop-1-enylboronic acid (CID 174428256) is 2-(4-methoxyphenyl)prop-1-enylboronic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)prop-1-enylboronic acid?
The canonical SMILES for 2-(4-methoxyphenyl)prop-1-enylboronic acid is COc1ccc(C(C)=CB(O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)prop-1-enylboronic acid?
The InChIKey is KLWHVHLCIJMIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BO3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7,12-13H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)prop-1-enylboronic acid?
2-(4-methoxyphenyl)prop-1-enylboronic acid has a molecular weight of 192.02 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)prop-1-enylboronic acid is sourced from PubChem (CID 174428256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).